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

C22H28N6O3 — CID 90019514

IUPAC1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESC[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc21
InChIInChI=1S/C22H28N6O3/c1-12-3-2-4-13(12)9-25-22(31)17-8-14-7-16(14)28(17)19(29)11-27-18-10-24-6-5-15(18)20(26-27)21(23)30/h5-6,10,12-14,16-17H,2-4,7-9,11H2,1H3,(H2,23,30)(H,25,31)/t12-,13+,14+,16+,17-/m0/s1
InChIKeyVWYMOLZRSSNQRH-SZVRAQGESA-N
MW424.51 g/mol
LogP1.07
Rot. Bonds6

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

1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 90019514) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID90019514
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESC[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc21
InChIInChI=1S/C22H28N6O3/c1-12-3-2-4-13(12)9-25-22(31)17-8-14-7-16(14)28(17)19(29)11-27-18-10-24-6-5-15(18)20(26-27)21(23)30/h5-6,10,12-14,16-17H,2-4,7-9,11H2,1H3,(H2,23,30)(H,25,31)/t12-,13+,14+,16+,17-/m0/s1
InChIKeyVWYMOLZRSSNQRH-SZVRAQGESA-N
XLogP1.07
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[2-oxo-2-[(1R,3S,5R)-3-(2-trimethylsilylethylcarbamoyl)-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72703238
1-[2-[(1R,3S,5R)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 118323690
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[(2,2-dimethylcyclopentyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131704352
1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 158379504
1-[2-oxo-2-[(1S,3S,5S)-3-[[(3R)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72943834
(1R,3R,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-[(3,3-dimethylcyclohexyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131704351
1-[2-(3-carbamoyl-2-azabicyclo[3.2.0]heptan-2-yl)-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 123662683
1-[2-oxo-2-[(1R,3S,5R)-3-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72950835
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
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-(1-cyclohexylcyclopropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131704350

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 90019514) is 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is C[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc21.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is VWYMOLZRSSNQRH-SZVRAQGESA-N. The full InChI is InChI=1S/C22H28N6O3/c1-12-3-2-4-13(12)9-25-22(31)17-8-14-7-16(14)28(17)19(29)11-27-18-10-24-6-5-15(18)20(26-27)21(23)30/h5-6,10,12-14,16-17H,2-4,7-9,11H2,1H3,(H2,23,30)(H,25,31)/t12-,13+,14+,16+,17-/m0/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.07, 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-[[(1S,2S)-2-methylcyclopentyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 90019514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).