4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

C86H106ClFN18O14 — CID 165022748

About 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 165022748) has the molecular formula C86H106ClFN18O14 and a molecular weight of 1670.36 g/mol. Its IUPAC name is 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
• PubChem CID: 165022748
• Molecular Formula: C86H106ClFN18O14
• Molecular Weight: 1670.36 g/mol
• Exact Mass: 1668.78
• IUPAC Name: 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
• SMILES: CC(C)(C)OC(=O)N(CC1[C@H]2CNC[C@@H]12)C(=O)OC(C)(C)C.CC(O)COc1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.CC(O)COc1cc(-c2ccc(N3C[C@@H]4C(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.CC(O)COc1cc(-c2ccc(N3C[C@@H]4C(CN)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.Cl
• InChI: InChI=1S/C32H40N6O6.C22H24N6O2.C16H13FN4O2.C16H28N2O4.ClH/c1-19(39)18-42-22-10-23(28-21(11-33)13-35-38(28)14-22)20-8-9-27(34-12-20)36-15-24-25(16-36)26(24)17-37(29(40)43-31(2,3)4)30(41)44-32(5,6)7;1-13(29)12-30-16-4-17(22-15(5-23)8-26-28(22)9-16)14-2-3-21(25-7-14)27-10-19-18(6-24)20(19)11-27;1-10(22)9-23-13-4-14(11-2-3-15(17)19-6-11)16-12(5-18)7-20-21(16)8-13;1-15(2,3)21-13(19)18(14(20)22-16(4,5)6)9-12-10-7-17-8-11(10)12;/h8-10,12-14,19,24-26,39H,15-18H2,1-7H3;2-4,7-9,13,18-20,29H,6,10-12,24H2,1H3;2-4,6-8,10,22H,9H2,1H3;10-12,17H,7-9H2,1-6H3;1H/t19?,24-,25+,26?;13?,18?,19-,20+;;10-,11+,12?
• InChIKey: RGXRCAFFNXNHRO-YKMLRVQPSA-N
• XLogP: 11.76
• TPSA: 406.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1670.36
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The IUPAC name of 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (CID 165022748) is 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

What is the SMILES notation for 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The canonical SMILES for 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is CC(C)(C)OC(=O)N(CC1[C@H]2CNC[C@@H]12)C(=O)OC(C)(C)C.CC(O)COc1cc(-c2ccc(F)nc2)c2c(C#N)cnn2c1.CC(O)COc1cc(-c2ccc(N3C[C@@H]4C(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.CC(O)COc1cc(-c2ccc(N3C[C@@H]4C(CN)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.Cl.

What is the InChIKey of 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The InChIKey is RGXRCAFFNXNHRO-YKMLRVQPSA-N. The full InChI is InChI=1S/C32H40N6O6.C22H24N6O2.C16H13FN4O2.C16H28N2O4.ClH/c1-19(39)18-42-22-10-23(28-21(11-33)13-35-38(28)14-22)20-8-9-27(34-12-20)36-15-24-25(16-36)26(24)17-37(29(40)43-31(2,3)4)30(41)44-32(5,6)7;1-13(29)12-30-16-4-17(22-15(5-23)8-26-28(22)9-16)14-2-3-21(25-7-14)27-10-19-18(6-24)20(19)11-27;1-10(22)9-23-13-4-14(11-2-3-15(17)19-6-11)16-12(5-18)7-20-21(16)8-13;1-15(2,3)21-13(19)18(14(20)22-16(4,5)6)9-12-10-7-17-8-11(10)12;/h8-10,12-14,19,24-26,39H,15-18H2,1-7H3;2-4,7-9,13,18-20,29H,6,10-12,24H2,1H3;2-4,6-8,10,22H,9H2,1H3;10-12,17H,7-9H2,1-6H3;1H/t19?,24-,25+,26?;13?,18?,19-,20+;;10-,11+,12?;.

What are the key properties of 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 1670.36 g/mol, XLogP of 11.76, 19 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;4-(6-fluoro-3-pyridinyl)-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 165022748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).