(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

C25H31N5O3 — CID 131704350

IUPAC(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
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2(C3CCCCC3)CC2)c2cnccc12
InChIInChI=1S/C25H31N5O3/c1-15(31)23-18-7-10-26-13-21(18)29(28-23)14-22(32)30-19-11-16(19)12-20(30)24(33)27-25(8-9-25)17-5-3-2-4-6-17/h7,10,13,16-17,19-20H,2-6,8-9,11-12,14H2,1H3,(H,27,33)/t16-,19-,20+/m1/s1
InChIKeyMHCUBYZXKGNNFL-AHRSYUTCSA-N
MW449.56 g/mol
LogP2.85
Rot. Bonds6

About (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

(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 (PubChem CID 131704350) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID131704350
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name(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
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2(C3CCCCC3)CC2)c2cnccc12
InChIInChI=1S/C25H31N5O3/c1-15(31)23-18-7-10-26-13-21(18)29(28-23)14-22(32)30-19-11-16(19)12-20(30)24(33)27-25(8-9-25)17-5-3-2-4-6-17/h7,10,13,16-17,19-20H,2-6,8-9,11-12,14H2,1H3,(H,27,33)/t16-,19-,20+/m1/s1
InChIKeyMHCUBYZXKGNNFL-AHRSYUTCSA-N
XLogP2.85
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 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-(1-cyclohexylcyclopropyl)-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-(1-cyclohexylcyclopropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 131704350) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2(C3CCCCC3)CC2)c2cnccc12.
What is the InChIKey of (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?
The InChIKey is MHCUBYZXKGNNFL-AHRSYUTCSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15(31)23-18-7-10-26-13-21(18)29(28-23)14-22(32)30-19-11-16(19)12-20(30)24(33)27-25(8-9-25)17-5-3-2-4-6-17/h7,10,13,16-17,19-20H,2-6,8-9,11-12,14H2,1H3,(H,27,33)/t16-,19-,20+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 449.56 g/mol, XLogP of 2.85, 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-(1-cyclohexylcyclopropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 131704350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).