1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

C24H31N5O3 — CID 72710067

IUPAC1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C24H31N5O3/c1-14(15-7-3-2-4-8-15)26-24(32)20-12-16-11-19(16)29(20)21(30)13-28-18-10-6-5-9-17(18)22(27-28)23(25)31/h5-6,9-10,14-16,19-20H,2-4,7-8,11-13H2,1H3,(H2,25,31)(H,26,32)/t14-,16-,19-,20+/m1/s1
InChIKeyFPBCGEQNHZBZCI-FCNFAXOHSA-N
MW437.54 g/mol
LogP2.21
Rot. Bonds6

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

1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 72710067) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID72710067
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C24H31N5O3/c1-14(15-7-3-2-4-8-15)26-24(32)20-12-16-11-19(16)29(20)21(30)13-28-18-10-6-5-9-17(18)22(27-28)23(25)31/h5-6,9-10,14-16,19-20H,2-4,7-8,11-13H2,1H3,(H2,25,31)(H,26,32)/t14-,16-,19-,20+/m1/s1
InChIKeyFPBCGEQNHZBZCI-FCNFAXOHSA-N
XLogP2.21
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 72710067) is 1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21)C1CCCCC1.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is FPBCGEQNHZBZCI-FCNFAXOHSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-14(15-7-3-2-4-8-15)26-24(32)20-12-16-11-19(16)29(20)21(30)13-28-18-10-6-5-9-17(18)22(27-28)23(25)31/h5-6,9-10,14-16,19-20H,2-4,7-8,11-13H2,1H3,(H2,25,31)(H,26,32)/t14-,16-,19-,20+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 72710067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).