(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

C24H31N5O3 — CID 131704352

IUPAC(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
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCCC2(C)C)c2cnccc12
InChIInChI=1S/C24H31N5O3/c1-14(30)22-17-6-8-25-12-20(17)28(27-22)13-21(31)29-18-9-15(18)10-19(29)23(32)26-11-16-5-4-7-24(16,2)3/h6,8,12,15-16,18-19H,4-5,7,9-11,13H2,1-3H3,(H,26,32)/t15-,16?,18-,19+/m1/s1
InChIKeyZPIYVNGMWWIEIG-VBZNHOPUSA-N
MW437.54 g/mol
LogP2.57
Rot. Bonds6

About (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

(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 (PubChem CID 131704352) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID131704352
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name(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
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCCC2(C)C)c2cnccc12
InChIInChI=1S/C24H31N5O3/c1-14(30)22-17-6-8-25-12-20(17)28(27-22)13-21(31)29-18-9-15(18)10-19(29)23(32)26-11-16-5-4-7-24(16,2)3/h6,8,12,15-16,18-19H,4-5,7,9-11,13H2,1-3H3,(H,26,32)/t15-,16?,18-,19+/m1/s1
InChIKeyZPIYVNGMWWIEIG-VBZNHOPUSA-N
XLogP2.57
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCC2CCCC2(C)C)c2cnccc12.
What is the InChIKey of (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?
The InChIKey is ZPIYVNGMWWIEIG-VBZNHOPUSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-14(30)22-17-6-8-25-12-20(17)28(27-22)13-21(31)29-18-9-15(18)10-19(29)23(32)26-11-16-5-4-7-24(16,2)3/h6,8,12,15-16,18-19H,4-5,7,9-11,13H2,1-3H3,(H,26,32)/t15-,16?,18-,19+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 437.54 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 131704352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).