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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol

C100H129N17O14S — CID 157261073

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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol (PubChem CID 157261073) has the molecular formula C100H129N17O14S and a molecular weight of 1825.30 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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol.

Molecular Properties

• Compound Name: 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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol
• PubChem CID: 157261073
• Molecular Formula: C100H129N17O14S
• Molecular Weight: 1825.30 g/mol
• Exact Mass: 1823.96
• IUPAC Name: 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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol
• SMILES: 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.O=C(OCc1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1
• InChI: InChI=1S/C24H27N3O3.C23H32N4O4.C18H24N4O2.C18H23N3O2.C17H23N3O3S/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;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;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/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);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;6,8-9,11-13,17,21H,2-5,7,10H2,1H3
• InChIKey: AXLPITXQUXPXBK-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 379.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1825.30
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol (CID 157261073) 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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(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.O=C(OCc1ccccc1)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.

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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol?

The InChIKey is AXLPITXQUXPXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.C23H32N4O4.C18H24N4O2.C18H23N3O2.C17H23N3O3S/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;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;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/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);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;6,8-9,11-13,17,21H,2-5,7,10H2,1H3.

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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol has a molecular weight of 1825.30 g/mol, XLogP of 13.16, 21 rotatable bonds, 7 hydrogen bond donors, and 25 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;1-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]ethanone;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(1-methylsulfonylpiperidin-3-yl)methanol is sourced from PubChem (CID 157261073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).