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

C22H27N5O3 — CID 118093304

IUPAC1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESC[C@@H]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1
InChIInChI=1S/C22H27N5O3/c1-12-6-7-14(8-12)24-22(30)18-10-13-9-17(13)27(18)19(28)11-26-16-5-3-2-4-15(16)20(25-26)21(23)29/h2-5,12-14,17-18H,6-11H2,1H3,(H2,23,29)(H,24,30)/t12-,13-,14?,17-,18+/m1/s1
InChIKeyOPFOGFFNCQJRAQ-KRPBBNOCSA-N
MW409.49 g/mol
LogP1.43
Rot. Bonds5

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

1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 118093304) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID118093304
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESC[C@@H]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1
InChIInChI=1S/C22H27N5O3/c1-12-6-7-14(8-12)24-22(30)18-10-13-9-17(13)27(18)19(28)11-26-16-5-3-2-4-15(16)20(25-26)21(23)29/h2-5,12-14,17-18H,6-11H2,1H3,(H2,23,29)(H,24,30)/t12-,13-,14?,17-,18+/m1/s1
InChIKeyOPFOGFFNCQJRAQ-KRPBBNOCSA-N
XLogP1.43
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-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-[[(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-[[(1R)-1-cyclohexylethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72710067
1-[2-[(1R,3S)-3-[(3,3-dimethyl-2-oxobutyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 163942175
1-[2-[(1R,3S,5R)-3-[[(1R)-2,2-dichloro-3-methylcyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131704369
1-[2-[(1R,3S,5R)-3-[[(1S,3S)-2,2-dichloro-3-methylcyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 90020259
1-[2-[(1R,3S,5R)-3-[[(1S)-2,2-dichloro-3-methylcyclopropyl]methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131704370
1-[2-oxo-2-[(1S,3S,5S)-3-[[(3R)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 72943834
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-acetylindazol-1-yl)acetyl]-N-[(1R,3S)-3-methoxycyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 72721573
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 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) is 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]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-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is C[C@@H]1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is OPFOGFFNCQJRAQ-KRPBBNOCSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-12-6-7-14(8-12)24-22(30)18-10-13-9-17(13)27(18)19(28)11-26-16-5-3-2-4-15(16)20(25-26)21(23)29/h2-5,12-14,17-18H,6-11H2,1H3,(H2,23,29)(H,24,30)/t12-,13-,14?,17-,18+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.43, 5 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-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 118093304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).