2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol

C174H221FN28O22S2 — CID 161377017

IUPAC2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol
SMILESCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CC(C)(C)OC(=O)NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C(OCc1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C(c1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1.OCC1(C(O)c2c(C3CC3)ccn3cncc23)CCCCC1
InChIInChI=1S/C24H27N3O3.C23H32N4O4.C23H25N3O2.C18H24N4O2.C18H23N3O2.C18H24N2O2.C17H21FN2O.C17H23N3O3S.C16H22N4O3S/c28-23(22-20(18-8-9-18)10-12-27-16-25-13-21(22)27)19-7-4-11-26(14-19)24(29)30-15-17-5-2-1-3-6-17;1-23(2,3)31-22(30)25-12-19(28)26-9-4-5-16(13-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27;27-22(21-19(16-8-9-16)10-12-26-15-24-13-20(21)26)18-7-4-11-25(14-18)23(28)17-5-2-1-3-6-17;19-8-16(23)21-6-1-2-13(10-21)18(24)17-14(12-3-4-12)5-7-22-11-20-9-15(17)22;1-12(22)20-7-2-3-14(10-20)18(23)17-15(13-4-5-13)6-8-21-11-19-9-16(17)21;21-11-18(7-2-1-3-8-18)17(22)16-14(13-4-5-13)6-9-20-12-19-10-15(16)20;18-14-8-13(14)12-6-7-20-10-19-9-15(20)16(12)17(21)11-4-2-1-3-5-11;1-24(22,23)20-7-2-3-13(10-20)17(21)16-14(12-4-5-12)6-8-19-11-18-9-15(16)19;17-24(22,23)20-6-1-2-12(9-20)16(21)15-13(11-3-4-11)5-7-19-10-18-8-14(15)19/h1-3,5-6,10,12-13,16,18-19,23,28H,4,7-9,11,14-15H2;8,10-11,14-16,21,29H,4-7,9,12-13H2,1-3H3,(H,25,30);1-3,5-6,10,12-13,15-16,18,22,27H,4,7-9,11,14H2;5,7,9,11-13,18,24H,1-4,6,8,10,19H2;6,8-9,11,13-14,18,23H,2-5,7,10H2,1H3;6,9-10,12-13,17,21-22H,1-5,7-8,11H2;6-7,9-11,13-14,17,21H,1-5,8H2;6,8-9,11-13,17,21H,2-5,7,10H2,1H3;5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23)/t;;;;;;13-,14+,17?;;/m......1../s1
InChIKeyVRFASQBDXXUVPF-SPPVULBWSA-N
MW3139.99 g/mol
LogP25.08
Rot. Bonds36

About 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol

2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol (PubChem CID 161377017) has the molecular formula C174H221FN28O22S2 and a molecular weight of 3139.99 g/mol. Its IUPAC name is 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol
PubChem CID161377017
Molecular FormulaC174H221FN28O22S2
Molecular Weight3139.99 g/mol
Exact Mass3137.65
IUPAC Name2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol
SMILESCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CC(C)(C)OC(=O)NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C(OCc1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C(c1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1.OCC1(C(O)c2c(C3CC3)ccn3cncc23)CCCCC1
InChIInChI=1S/C24H27N3O3.C23H32N4O4.C23H25N3O2.C18H24N4O2.C18H23N3O2.C18H24N2O2.C17H21FN2O.C17H23N3O3S.C16H22N4O3S/c28-23(22-20(18-8-9-18)10-12-27-16-25-13-21(22)27)19-7-4-11-26(14-19)24(29)30-15-17-5-2-1-3-6-17;1-23(2,3)31-22(30)25-12-19(28)26-9-4-5-16(13-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27;27-22(21-19(16-8-9-16)10-12-26-15-24-13-20(21)26)18-7-4-11-25(14-18)23(28)17-5-2-1-3-6-17;19-8-16(23)21-6-1-2-13(10-21)18(24)17-14(12-3-4-12)5-7-22-11-20-9-15(17)22;1-12(22)20-7-2-3-14(10-20)18(23)17-15(13-4-5-13)6-8-21-11-19-9-16(17)21;21-11-18(7-2-1-3-8-18)17(22)16-14(13-4-5-13)6-9-20-12-19-10-15(16)20;18-14-8-13(14)12-6-7-20-10-19-9-15(20)16(12)17(21)11-4-2-1-3-5-11;1-24(22,23)20-7-2-3-13(10-20)17(21)16-14(12-4-5-12)6-8-19-11-18-9-15(16)19;17-24(22,23)20-6-1-2-12(9-20)16(21)15-13(11-3-4-11)5-7-19-10-18-8-14(15)19/h1-3,5-6,10,12-13,16,18-19,23,28H,4,7-9,11,14-15H2;8,10-11,14-16,21,29H,4-7,9,12-13H2,1-3H3,(H,25,30);1-3,5-6,10,12-13,15-16,18,22,27H,4,7-9,11,14H2;5,7,9,11-13,18,24H,1-4,6,8,10,19H2;6,8-9,11,13-14,18,23H,2-5,7,10H2,1H3;6,9-10,12-13,17,21-22H,1-5,7-8,11H2;6-7,9-11,13-14,17,21H,1-5,8H2;6,8-9,11-13,17,21H,2-5,7,10H2,1H3;5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23)/t;;;;;;13-,14+,17?;;/m......1../s1
InChIKeyVRFASQBDXXUVPF-SPPVULBWSA-N
XLogP25.08
TPSA633.91 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms227
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003139.99
LogP ≤ 525.08
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol?
The IUPAC name of 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol (CID 161377017) is 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol.
What is the SMILES notation for 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol?
The canonical SMILES for 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol is CC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CC(C)(C)OC(=O)NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.CS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NCC(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C(OCc1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C(c1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.OC(c1c([C@H]2C[C@@H]2F)ccn2cncc12)C1CCCCC1.OCC1(C(O)c2c(C3CC3)ccn3cncc23)CCCCC1.
What is the InChIKey of 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol?
The InChIKey is VRFASQBDXXUVPF-SPPVULBWSA-N. The full InChI is InChI=1S/C24H27N3O3.C23H32N4O4.C23H25N3O2.C18H24N4O2.C18H23N3O2.C18H24N2O2.C17H21FN2O.C17H23N3O3S.C16H22N4O3S/c28-23(22-20(18-8-9-18)10-12-27-16-25-13-21(22)27)19-7-4-11-26(14-19)24(29)30-15-17-5-2-1-3-6-17;1-23(2,3)31-22(30)25-12-19(28)26-9-4-5-16(13-26)21(29)20-17(15-6-7-15)8-10-27-14-24-11-18(20)27;27-22(21-19(16-8-9-16)10-12-26-15-24-13-20(21)26)18-7-4-11-25(14-18)23(28)17-5-2-1-3-6-17;19-8-16(23)21-6-1-2-13(10-21)18(24)17-14(12-3-4-12)5-7-22-11-20-9-15(17)22;1-12(22)20-7-2-3-14(10-20)18(23)17-15(13-4-5-13)6-8-21-11-19-9-16(17)21;21-11-18(7-2-1-3-8-18)17(22)16-14(13-4-5-13)6-9-20-12-19-10-15(16)20;18-14-8-13(14)12-6-7-20-10-19-9-15(20)16(12)17(21)11-4-2-1-3-5-11;1-24(22,23)20-7-2-3-13(10-20)17(21)16-14(12-4-5-12)6-8-19-11-18-9-15(16)19;17-24(22,23)20-6-1-2-12(9-20)16(21)15-13(11-3-4-11)5-7-19-10-18-8-14(15)19/h1-3,5-6,10,12-13,16,18-19,23,28H,4,7-9,11,14-15H2;8,10-11,14-16,21,29H,4-7,9,12-13H2,1-3H3,(H,25,30);1-3,5-6,10,12-13,15-16,18,22,27H,4,7-9,11,14H2;5,7,9,11-13,18,24H,1-4,6,8,10,19H2;6,8-9,11,13-14,18,23H,2-5,7,10H2,1H3;6,9-10,12-13,17,21-22H,1-5,7-8,11H2;6-7,9-11,13-14,17,21H,1-5,8H2;6,8-9,11-13,17,21H,2-5,7,10H2,1H3;5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23)/t;;;;;;13-,14+,17?;;/m......1../s1.
What are the key properties of 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol?
2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol has a molecular weight of 3139.99 g/mol, XLogP of 25.08, 36 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;benzyl 3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl N-[2-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-2-oxoethyl]carbamate;cyclohexyl-[7-[(1R,2S)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]methanol;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(hydroxymethyl)cyclohexyl]methanol;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]-phenylmethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol is sourced from PubChem (CID 161377017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).