N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide

C23H19ClN4O2 — CID 58143407

IUPACN-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc(Cl)ccc1NC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H19ClN4O2/c1-14(15-7-3-2-4-8-15)25-22(29)18-13-16(24)11-12-19(18)26-23(30)21-17-9-5-6-10-20(17)27-28-21/h2-14H,1H3,(H,25,29)(H,26,30)(H,27,28)/t14-/m1/s1
InChIKeyVDZGJZWNIYJCNN-CQSZACIVSA-N
MW418.88 g/mol
LogP4.96
Rot. Bonds5

About N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide

N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide (PubChem CID 58143407) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide
PubChem CID58143407
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC NameN-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc(Cl)ccc1NC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H19ClN4O2/c1-14(15-7-3-2-4-8-15)25-22(29)18-13-16(24)11-12-19(18)26-23(30)21-17-9-5-6-10-20(17)27-28-21/h2-14H,1H3,(H,25,29)(H,26,30)(H,27,28)/t14-/m1/s1
InChIKeyVDZGJZWNIYJCNN-CQSZACIVSA-N
XLogP4.96
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
CID 165416442
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide
CID 11123162
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-N-(2-dimethylamino-ethyl)-benzamide
CID 10151272
4-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 10310219
1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino-2-(3-chlorophenyl)ethanone
CID 16662116
5-(4-aminobutyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443797
1H-Indazole-3-carboxylic acid [4-(piperidine-1-carbonyl)-phenyl]-amide
CID 86760649
(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872302
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299573
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299645
1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299858

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide (CID 58143407) is N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide is C[C@@H](NC(=O)c1cc(Cl)ccc1NC(=O)c1n[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide?
The InChIKey is VDZGJZWNIYJCNN-CQSZACIVSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-14(15-7-3-2-4-8-15)25-22(29)18-13-16(24)11-12-19(18)26-23(30)21-17-9-5-6-10-20(17)27-28-21/h2-14H,1H3,(H,25,29)(H,26,30)(H,27,28)/t14-/m1/s1.
What are the key properties of N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide?
N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 58143407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).