4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde

C59H61Cl2F3N16O8 — CID 165092625

IUPAC4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde
SMILESC.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CN)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CNC(=O)c5ncccc5Cl)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.O=C(O)c1ncccc1Cl.O=CC(F)(F)F
InChIInChI=1S/C28H27ClN8O3.C22H25N7O2.C6H4ClNO2.C2HF3O.CH4/c1-28(2,39)15-40-17-6-18(26-16(7-30)8-35-37(26)12-17)23-10-33-24(11-32-23)36-13-20-19(21(20)14-36)9-34-27(38)25-22(29)4-3-5-31-25;1-22(2,30)12-31-14-3-15(21-13(4-23)6-27-29(21)9-14)19-7-26-20(8-25-19)28-10-17-16(5-24)18(17)11-28;7-4-2-1-3-8-5(4)6(9)10;3-2(4,5)1-6;/h3-6,8,10-12,19-21,39H,9,13-15H2,1-2H3,(H,34,38);3,6-9,16-18,30H,5,10-12,24H2,1-2H3;1-3H,(H,9,10);1H;1H4/t19?,20-,21+;16?,17-,18+;;;
InChIKeyWYUDBQSXXLHYGO-CXRSKLNASA-N
MW1250.14 g/mol
LogP7.24
Rot. Bonds15

About 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde

4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde (PubChem CID 165092625) has the molecular formula C59H61Cl2F3N16O8 and a molecular weight of 1250.14 g/mol. Its IUPAC name is 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde
PubChem CID165092625
Molecular FormulaC59H61Cl2F3N16O8
Molecular Weight1250.14 g/mol
Exact Mass1248.42
IUPAC Name4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde
SMILESC.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CN)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CNC(=O)c5ncccc5Cl)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.O=C(O)c1ncccc1Cl.O=CC(F)(F)F
InChIInChI=1S/C28H27ClN8O3.C22H25N7O2.C6H4ClNO2.C2HF3O.CH4/c1-28(2,39)15-40-17-6-18(26-16(7-30)8-35-37(26)12-17)23-10-33-24(11-32-23)36-13-20-19(21(20)14-36)9-34-27(38)25-22(29)4-3-5-31-25;1-22(2,30)12-31-14-3-15(21-13(4-23)6-27-29(21)9-14)19-7-26-20(8-25-19)28-10-17-16(5-24)18(17)11-28;7-4-2-1-3-8-5(4)6(9)10;3-2(4,5)1-6;/h3-6,8,10-12,19-21,39H,9,13-15H2,1-2H3,(H,34,38);3,6-9,16-18,30H,5,10-12,24H2,1-2H3;1-3H,(H,9,10);1H;1H4/t19?,20-,21+;16?,17-,18+;;;
InChIKeyWYUDBQSXXLHYGO-CXRSKLNASA-N
XLogP7.24
TPSA334.41 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001250.14
LogP ≤ 57.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde (CID 165092625) is 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde is C.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CN)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CNC(=O)c5ncccc5Cl)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.O=C(O)c1ncccc1Cl.O=CC(F)(F)F.
What is the InChIKey of 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde?
The InChIKey is WYUDBQSXXLHYGO-CXRSKLNASA-N. The full InChI is InChI=1S/C28H27ClN8O3.C22H25N7O2.C6H4ClNO2.C2HF3O.CH4/c1-28(2,39)15-40-17-6-18(26-16(7-30)8-35-37(26)12-17)23-10-33-24(11-32-23)36-13-20-19(21(20)14-36)9-34-27(38)25-22(29)4-3-5-31-25;1-22(2,30)12-31-14-3-15(21-13(4-23)6-27-29(21)9-14)19-7-26-20(8-25-19)28-10-17-16(5-24)18(17)11-28;7-4-2-1-3-8-5(4)6(9)10;3-2(4,5)1-6;/h3-6,8,10-12,19-21,39H,9,13-15H2,1-2H3,(H,34,38);3,6-9,16-18,30H,5,10-12,24H2,1-2H3;1-3H,(H,9,10);1H;1H4/t19?,20-,21+;16?,17-,18+;;;.
What are the key properties of 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde?
4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde has a molecular weight of 1250.14 g/mol, XLogP of 7.24, 15 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;3-chloro-N-[[(1S,5R)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;3-chloropyridine-2-carboxylic acid;methane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 165092625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).