tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane

C76H95ClF6N16O7 — CID 164992222

IUPACtert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
SMILESC.CC(C)(C)OC(=O)N(c1cc(F)cc(F)c1)c1cc(Cl)nc2c(C3CC3)cnn12.CC(C)(C)OC(=O)N1CC[C@@H](CN)[C@H](O)C1.O[C@@H]1CCCC[C@H]1CNc1cc(Cc2cc(F)cc(F)c2)n2ncc(C3CC3)c2n1.O[C@@H]1CNCC[C@H]1CNc1cc(Nc2cc(F)cc(F)c2)n2ncc(C3CC3)c2n1
InChIInChI=1S/C23H26F2N4O.C21H24F2N6O.C20H19ClF2N4O2.C11H22N2O3.CH4/c24-17-7-14(8-18(25)10-17)9-19-11-22(26-12-16-3-1-2-4-21(16)30)28-23-20(15-5-6-15)13-27-29(19)23;22-14-5-15(23)7-16(6-14)27-20-8-19(25-9-13-3-4-24-11-18(13)30)28-21-17(12-1-2-12)10-26-29(20)21;1-20(2,3)29-19(28)26(14-7-12(22)6-13(23)8-14)17-9-16(21)25-18-15(11-4-5-11)10-24-27(17)18;1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13;/h7-8,10-11,13,15-16,21,30H,1-6,9,12H2,(H,26,28);5-8,10,12-13,18,24,27,30H,1-4,9,11H2,(H,25,28);6-11H,4-5H2,1-3H3;8-9,14H,4-7,12H2,1-3H3;1H4/t16-,21+;13-,18+;;8-,9+;/m00.0./s1
InChIKeyHADNOMODSUIDJN-PVINARCUSA-N
MW1494.14 g/mol
LogP14.26
Rot. Bonds16

About tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane

tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane (PubChem CID 164992222) has the molecular formula C76H95ClF6N16O7 and a molecular weight of 1494.14 g/mol. Its IUPAC name is tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane.

Molecular Properties

Compound Nametert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
PubChem CID164992222
Molecular FormulaC76H95ClF6N16O7
Molecular Weight1494.14 g/mol
Exact Mass1492.72
IUPAC Nametert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
SMILESC.CC(C)(C)OC(=O)N(c1cc(F)cc(F)c1)c1cc(Cl)nc2c(C3CC3)cnn12.CC(C)(C)OC(=O)N1CC[C@@H](CN)[C@H](O)C1.O[C@@H]1CCCC[C@H]1CNc1cc(Cc2cc(F)cc(F)c2)n2ncc(C3CC3)c2n1.O[C@@H]1CNCC[C@H]1CNc1cc(Nc2cc(F)cc(F)c2)n2ncc(C3CC3)c2n1
InChIInChI=1S/C23H26F2N4O.C21H24F2N6O.C20H19ClF2N4O2.C11H22N2O3.CH4/c24-17-7-14(8-18(25)10-17)9-19-11-22(26-12-16-3-1-2-4-21(16)30)28-23-20(15-5-6-15)13-27-29(19)23;22-14-5-15(23)7-16(6-14)27-20-8-19(25-9-13-3-4-24-11-18(13)30)28-21-17(12-1-2-12)10-26-29(20)21;1-20(2,3)29-19(28)26(14-7-12(22)6-13(23)8-14)17-9-16(21)25-18-15(11-4-5-11)10-24-27(17)18;1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13;/h7-8,10-11,13,15-16,21,30H,1-6,9,12H2,(H,26,28);5-8,10,12-13,18,24,27,30H,1-4,9,11H2,(H,25,28);6-11H,4-5H2,1-3H3;8-9,14H,4-7,12H2,1-3H3;1H4/t16-,21+;13-,18+;;8-,9+;/m00.0./s1
InChIKeyHADNOMODSUIDJN-PVINARCUSA-N
XLogP14.26
TPSA284.48 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001494.14
LogP ≤ 514.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane with MolForge

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Related Compounds

(2R)-7-amino-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol;tert-butyl N-[(6R)-6-amino-7-[tert-butyl(dimethyl)silyl]oxyheptyl]carbamate;tert-butyl N-[5-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate;tert-butyl N-(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]carbamate;tert-butyl N-[(2-fluorophenyl)methyl]-N-[5-[[(2R)-1-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate;5-chloro-N-[(2-fluorophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;oxolane
CID 157064057
2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 158324108
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;[1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol;tert-butyl N-[5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(pyridin-3-ylmethyl)carbamate;tert-butyl N-[5-(3-isocyanophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(pyridin-3-ylmethyl)carbamate
CID 158593077
2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 158829044
(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]-9-(6-fluoro-3-pyridinyl)nonan-1-ol;tert-butyl N-benzyl-N-[5-[[(2R)-9-(6-fluoro-3-pyridinyl)-1-hydroxynonan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate;methanol;hydrochloride
CID 159512678
2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 160173932
2-[(2S)-1-[7-[(3-aminocyclohexyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 160339192
2-[(2S)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-(aminomethyl)phenyl]carbamate;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[3-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 161107200
tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-isocyanophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-isocyanophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-isocyanoanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
CID 164991453
tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)carbamate;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
CID 164992031
tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;(3S,5S)-5-[[3-cyclobutyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-3-ol;methane;trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[3-cyclobutyl-7-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 165001798
tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluorophenyl)carbamate;tert-butyl N-[3-cyclobutyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluorophenyl)carbamate;(3R,4R)-4-[[[3-cyclobutyl-7-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane
CID 165016583

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane?
The IUPAC name of tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane (CID 164992222) is tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane.
What is the SMILES notation for tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane?
The canonical SMILES for tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane is C.CC(C)(C)OC(=O)N(c1cc(F)cc(F)c1)c1cc(Cl)nc2c(C3CC3)cnn12.CC(C)(C)OC(=O)N1CC[C@@H](CN)[C@H](O)C1.O[C@@H]1CCCC[C@H]1CNc1cc(Cc2cc(F)cc(F)c2)n2ncc(C3CC3)c2n1.O[C@@H]1CNCC[C@H]1CNc1cc(Nc2cc(F)cc(F)c2)n2ncc(C3CC3)c2n1.
What is the InChIKey of tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane?
The InChIKey is HADNOMODSUIDJN-PVINARCUSA-N. The full InChI is InChI=1S/C23H26F2N4O.C21H24F2N6O.C20H19ClF2N4O2.C11H22N2O3.CH4/c24-17-7-14(8-18(25)10-17)9-19-11-22(26-12-16-3-1-2-4-21(16)30)28-23-20(15-5-6-15)13-27-29(19)23;22-14-5-15(23)7-16(6-14)27-20-8-19(25-9-13-3-4-24-11-18(13)30)28-21-17(12-1-2-12)10-26-29(20)21;1-20(2,3)29-19(28)26(14-7-12(22)6-13(23)8-14)17-9-16(21)25-18-15(11-4-5-11)10-24-27(17)18;1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13;/h7-8,10-11,13,15-16,21,30H,1-6,9,12H2,(H,26,28);5-8,10,12-13,18,24,27,30H,1-4,9,11H2,(H,25,28);6-11H,4-5H2,1-3H3;8-9,14H,4-7,12H2,1-3H3;1H4/t16-,21+;13-,18+;;8-,9+;/m00.0./s1.
What are the key properties of tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane?
tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane has a molecular weight of 1494.14 g/mol, XLogP of 14.26, 16 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3,5-difluorophenyl)carbamate;cis-(1R,2S)-2-[[[3-cyclopropyl-7-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]cyclohexan-1-ol;(3S,4S)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;methane is sourced from PubChem (CID 164992222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).