1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide

C21H24Cl2N6O3 — CID 90020081

IUPAC1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC[C@H]3CC3(Cl)Cl)c2c(C)n1
InChIInChI=1S/C21H24Cl2N6O3/c1-9-3-13-17(19(24)31)27-28(18(13)10(2)26-9)8-16(30)29-14-4-11(14)5-15(29)20(32)25-7-12-6-21(12,22)23/h3,11-12,14-15H,4-8H2,1-2H3,(H2,24,31)(H,25,32)/t11-,12-,14-,15+/m1/s1
InChIKeyZRSOXRYMLAZAHG-GBOPCIDUSA-N
MW479.37 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 90020081) has the molecular formula C21H24Cl2N6O3 and a molecular weight of 479.37 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID90020081
Molecular FormulaC21H24Cl2N6O3
Molecular Weight479.37 g/mol
Exact Mass478.13
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC[C@H]3CC3(Cl)Cl)c2c(C)n1
InChIInChI=1S/C21H24Cl2N6O3/c1-9-3-13-17(19(24)31)27-28(18(13)10(2)26-9)8-16(30)29-14-4-11(14)5-15(29)20(32)25-7-12-6-21(12,22)23/h3,11-12,14-15H,4-8H2,1-2H3,(H2,24,31)(H,25,32)/t11-,12-,14-,15+/m1/s1
InChIKeyZRSOXRYMLAZAHG-GBOPCIDUSA-N
XLogP1.45
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 140696590
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 140600055
1-[2-[(1R,3S,5R)-3-[[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 72709817
[1-[2-[(1R,3S,5R)-3-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridin-3-yl] carbamate
CID 130234556
1-[2-[(1R,3S,5R)-3-[[(1S)-2,2-dichloro-3-methylcyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131704370
1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichloro-3-methylcyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131704369
1-[2-[(1R,3S,5R)-3-[[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 90020259
1-[2-[(1R,3S,5R)-3-[(3,3-dimethylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 118093284
1-[2-[(1R,3S,5R)-3-[[(3S)-3-ethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-methylpyrazolo[5,4-c]pyridine-3-carboxamide
CID 118093328
1-[2-[(1R,3S)-3-[(3,3-dimethyl-2-oxobutyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 163942175
(1R,3S,5R)-2-[2-[3-acetyl-5-(1,3-thiazol-4-ylmethoxy)indazol-1-yl]acetyl]-N-[[(1R)-2,2-dichlorocyclopropyl]methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72709394
1-[2-oxo-2-[(1R,3S,5R)-3-[[(1R)-2,2,2-trideuterio-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
CID 72709556

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide (CID 90020081) is 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cc2c(C(N)=O)nn(CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)NC[C@H]3CC3(Cl)Cl)c2c(C)n1.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is ZRSOXRYMLAZAHG-GBOPCIDUSA-N. The full InChI is InChI=1S/C21H24Cl2N6O3/c1-9-3-13-17(19(24)31)27-28(18(13)10(2)26-9)8-16(30)29-14-4-11(14)5-15(29)20(32)25-7-12-6-21(12,22)23/h3,11-12,14-15H,4-8H2,1-2H3,(H2,24,31)(H,25,32)/t11-,12-,14-,15+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 479.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichlorocyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5,7-dimethylpyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 90020081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).