N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

C32H36N6O5 — CID 177013536

IUPACN-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCN1C(=O)C(NC(=O)c2cccc3c2OCC3)C(C2CC2)c2c(C(=O)N3C(C#N)CC4CC43)nn(C3CCOCC3)c21
InChIInChI=1S/C32H36N6O5/c1-2-36-30-25(24(17-6-7-17)26(31(36)40)34-29(39)22-5-3-4-18-8-13-43-28(18)22)27(35-38(30)20-9-11-42-12-10-20)32(41)37-21(16-33)14-19-15-23(19)37/h3-5,17,19-21,23-24,26H,2,6-15H2,1H3,(H,34,39)
InChIKeySWZOLHAJVUZQPP-UHFFFAOYSA-N
MW584.68 g/mol
LogP2.95
Rot. Bonds6

About N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 177013536) has the molecular formula C32H36N6O5 and a molecular weight of 584.68 g/mol. Its IUPAC name is N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID177013536
Molecular FormulaC32H36N6O5
Molecular Weight584.68 g/mol
Exact Mass584.27
IUPAC NameN-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCN1C(=O)C(NC(=O)c2cccc3c2OCC3)C(C2CC2)c2c(C(=O)N3C(C#N)CC4CC43)nn(C3CCOCC3)c21
InChIInChI=1S/C32H36N6O5/c1-2-36-30-25(24(17-6-7-17)26(31(36)40)34-29(39)22-5-3-4-18-8-13-43-28(18)22)27(35-38(30)20-9-11-42-12-10-20)32(41)37-21(16-33)14-19-15-23(19)37/h3-5,17,19-21,23-24,26H,2,6-15H2,1H3,(H,34,39)
InChIKeySWZOLHAJVUZQPP-UHFFFAOYSA-N
XLogP2.95
TPSA129.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 177013536) is N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is CCN1C(=O)C(NC(=O)c2cccc3c2OCC3)C(C2CC2)c2c(C(=O)N3C(C#N)CC4CC43)nn(C3CCOCC3)c21.
What is the InChIKey of N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is SWZOLHAJVUZQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O5/c1-2-36-30-25(24(17-6-7-17)26(31(36)40)34-29(39)22-5-3-4-18-8-13-43-28(18)22)27(35-38(30)20-9-11-42-12-10-20)32(41)37-21(16-33)14-19-15-23(19)37/h3-5,17,19-21,23-24,26H,2,6-15H2,1H3,(H,34,39).
What are the key properties of N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 584.68 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyano-2-azabicyclo[3.1.0]hexane-2-carbonyl)-4-cyclopropyl-7-ethyl-1-(oxan-4-yl)-6-oxo-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 177013536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).