N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide

C23H21ClN4O — CID 127047178

IUPACN-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4cccc(Cl)c4)cc23)cc(C)n1
InChIInChI=1S/C23H21ClN4O/c1-13-9-18(10-14(2)25-13)22-20-12-17(7-8-21(20)27-28-22)23(29)26-15(3)16-5-4-6-19(24)11-16/h4-12,15H,1-3H3,(H,26,29)(H,27,28)
InChIKeyIXXHBQUKYWAYMT-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.39
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 127047178) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID127047178
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4cccc(Cl)c4)cc23)cc(C)n1
InChIInChI=1S/C23H21ClN4O/c1-13-9-18(10-14(2)25-13)22-20-12-17(7-8-21(20)27-28-22)23(29)26-15(3)16-5-4-6-19(24)11-16/h4-12,15H,1-3H3,(H,26,29)(H,27,28)
InChIKeyIXXHBQUKYWAYMT-UHFFFAOYSA-N
XLogP5.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127045929
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[1-(2-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047015
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811527
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 127047178) is N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NC(C)c4cccc(Cl)c4)cc23)cc(C)n1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is IXXHBQUKYWAYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-13-9-18(10-14(2)25-13)22-20-12-17(7-8-21(20)27-28-22)23(29)26-15(3)16-5-4-6-19(24)11-16/h4-12,15H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).