(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C24H30N4O4 — CID 72721573

IUPAC(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCO[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3ccccc32)C1
InChIInChI=1S/C24H30N4O4/c1-14(29)23-18-8-3-4-9-19(18)27(26-23)13-22(30)28-20-10-15(20)11-21(28)24(31)25-16-6-5-7-17(12-16)32-2/h3-4,8-9,15-17,20-21H,5-7,10-13H2,1-2H3,(H,25,31)/t15-,16-,17+,20-,21+/m1/s1
InChIKeyPACZEUOAQNSDTN-ZUKOONMSSA-N
MW438.53 g/mol
LogP2.30
Rot. Bonds6

About (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 72721573) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID72721573
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCO[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3ccccc32)C1
InChIInChI=1S/C24H30N4O4/c1-14(29)23-18-8-3-4-9-19(18)27(26-23)13-22(30)28-20-10-15(20)11-21(28)24(31)25-16-6-5-7-17(12-16)32-2/h3-4,8-9,15-17,20-21H,5-7,10-13H2,1-2H3,(H,25,31)/t15-,16-,17+,20-,21+/m1/s1
InChIKeyPACZEUOAQNSDTN-ZUKOONMSSA-N
XLogP2.30
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

1-[2-[(1R,3S,5R)-3-[[(1R,3S)-3-methoxycyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721574
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
1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 118093304
1-[2-[(1R,3S,5R)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721784
1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131709552
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-N-[(1R)-3,3-dimethylcyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72720977
CID 167490859
CID 167490859
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
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetyl]-N-(4,4-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72721170
1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72943832
(1R,3S,5R)-2-[2-[3-acetyl-5-(pyrimidin-2-ylmethoxy)indazol-1-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 71009260
1-[2-oxo-2-[(1R,3S,5R)-3-[[(1S,3S)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 118073438

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 72721573) is (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is CO[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(C)=O)c3ccccc32)C1.
What is the InChIKey of (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is PACZEUOAQNSDTN-ZUKOONMSSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-14(29)23-18-8-3-4-9-19(18)27(26-23)13-22(30)28-20-10-15(20)11-21(28)24(31)25-16-6-5-7-17(12-16)32-2/h3-4,8-9,15-17,20-21H,5-7,10-13H2,1-2H3,(H,25,31)/t15-,16-,17+,20-,21+/m1/s1.
What are the key properties of (1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.30, 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-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 72721573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).