N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C21H17ClN4O — CID 127047161

IUPACN-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H17ClN4O/c22-17-3-1-2-14(12-17)6-11-24-21(27)16-4-5-19-18(13-16)20(26-25-19)15-7-9-23-10-8-15/h1-5,7-10,12-13H,6,11H2,(H,24,27)(H,25,26)
InChIKeyFDTTYANWYFTIKI-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.25
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047161) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047161
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H17ClN4O/c22-17-3-1-2-14(12-17)6-11-24-21(27)16-4-5-19-18(13-16)20(26-25-19)15-7-9-23-10-8-15/h1-5,7-10,12-13H,6,11H2,(H,24,27)(H,25,26)
InChIKeyFDTTYANWYFTIKI-UHFFFAOYSA-N
XLogP4.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-(3-chloro-4-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844663
N'-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene)isonicotinohydrazide
CID 135501782
N-(3,5-dichlorophenyl)-1H-indazole-5-carboxamide
CID 77844662
N-(5,6-dichloro-3-pyridinyl)-1H-indazole-5-carboxamide
CID 77844666
4-[4-fluoro-3-(2-pyridin-4-ylethylcarbamoyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888923
8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10379792
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
N-(4-chloro-3-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844664
(3-chloro-4-fluorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298375

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047161) is N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NCCc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is FDTTYANWYFTIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-17-3-1-2-14(12-17)6-11-24-21(27)16-4-5-19-18(13-16)20(26-25-19)15-7-9-23-10-8-15/h1-5,7-10,12-13H,6,11H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).