(1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C23H26N4O — CID 86294250

IUPAC(1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H26N4O/c1-23(2,25-22(28)20-17-12-24-13-18(17)20)21-16-10-6-7-11-19(16)27(26-21)14-15-8-4-3-5-9-15/h3-11,17-18,20,24H,12-14H2,1-2H3,(H,25,28)/t17-,18+,20?
InChIKeyOAOQDKGAEXHBNA-UFRUDQCGSA-N
MW374.49 g/mol
LogP2.90
Rot. Bonds5

About (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86294250) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86294250
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H26N4O/c1-23(2,25-22(28)20-17-12-24-13-18(17)20)21-16-10-6-7-11-19(16)27(26-21)14-15-8-4-3-5-9-15/h3-11,17-18,20,24H,12-14H2,1-2H3,(H,25,28)/t17-,18+,20?
InChIKeyOAOQDKGAEXHBNA-UFRUDQCGSA-N
XLogP2.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

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App-butinaca
CID 154735174
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
CID 5311254
rac-(1R,5S,6R)-N-(2-(1-methyl-1H-indazol-3-yl)propan-2-yl)-3-azabicyclo(3.1.0)hexane-6-carboxamide
CID 86294248
N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
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CID 44206137
(4r)-6-(3-Cyclopropyl-1-Methyl-1h-Indazol-5-Yl)-4-Methyl-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One
CID 121271781
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929
N-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 11397742
N-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 21252893

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86294250) is (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is OAOQDKGAEXHBNA-UFRUDQCGSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2,25-22(28)20-17-12-24-13-18(17)20)21-16-10-6-7-11-19(16)27(26-21)14-15-8-4-3-5-9-15/h3-11,17-18,20,24H,12-14H2,1-2H3,(H,25,28)/t17-,18+,20?.
What are the key properties of (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[2-(1-benzylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86294250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).