1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide

C28H31N5O3 — CID 118073417

IUPAC1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CCCC(c3ccccc3)C2)c2ccccc12
InChIInChI=1S/C28H31N5O3/c29-27(35)26-21-11-4-5-12-22(21)32(31-26)16-25(34)33-23-14-19(23)15-24(33)28(36)30-20-10-6-9-18(13-20)17-7-2-1-3-8-17/h1-5,7-8,11-12,18-20,23-24H,6,9-10,13-16H2,(H2,29,35)(H,30,36)/t18?,19-,20?,23-,24+/m1/s1
InChIKeyQHZNSUVGWSMLDQ-HCHHUPERSA-N
MW485.59 g/mol
LogP2.97
Rot. Bonds6

About 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide

1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide (PubChem CID 118073417) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
PubChem CID118073417
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CCCC(c3ccccc3)C2)c2ccccc12
InChIInChI=1S/C28H31N5O3/c29-27(35)26-21-11-4-5-12-22(21)32(31-26)16-25(34)33-23-14-19(23)15-24(33)28(36)30-20-10-6-9-18(13-20)17-7-2-1-3-8-17/h1-5,7-8,11-12,18-20,23-24H,6,9-10,13-16H2,(H2,29,35)(H,30,36)/t18?,19-,20?,23-,24+/m1/s1
InChIKeyQHZNSUVGWSMLDQ-HCHHUPERSA-N
XLogP2.97
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide (CID 118073417) is 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CCCC(c3ccccc3)C2)c2ccccc12.
What is the InChIKey of 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
The InChIKey is QHZNSUVGWSMLDQ-HCHHUPERSA-N. The full InChI is InChI=1S/C28H31N5O3/c29-27(35)26-21-11-4-5-12-22(21)32(31-26)16-25(34)33-23-14-19(23)15-24(33)28(36)30-20-10-6-9-18(13-20)17-7-2-1-3-8-17/h1-5,7-8,11-12,18-20,23-24H,6,9-10,13-16H2,(H2,29,35)(H,30,36)/t18?,19-,20?,23-,24+/m1/s1.
What are the key properties of 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide?
1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide is sourced from PubChem (CID 118073417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).