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

C21H17ClN4O2 — CID 127047019

IUPACN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H17ClN4O2/c22-16-3-1-2-14(10-16)19(12-27)24-21(28)15-4-5-18-17(11-15)20(26-25-18)13-6-8-23-9-7-13/h1-11,19,27H,12H2,(H,24,28)(H,25,26)
InChIKeyPRQMKPLDKYLQOM-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.74
Rot. Bonds5

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

N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047019) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047019
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C21H17ClN4O2/c22-16-3-1-2-14(10-16)19(12-27)24-21(28)15-4-5-18-17(11-15)20(26-25-18)13-6-8-23-9-7-13/h1-11,19,27H,12H2,(H,24,28)(H,25,26)
InChIKeyPRQMKPLDKYLQOM-UHFFFAOYSA-N
XLogP3.74
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-N-(1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-YL)-1H-pyrrole-2-carboxamide
CID 135449326
N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135523966
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-((S)-2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 135523946
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(4-fluorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 135523949
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-{2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrrole-2-carboxamide
CID 135523950
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3-fluorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 135523951
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3,5-dichlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 135523952
N-((R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135523953
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(4-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 135523963
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(2-fluorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 135523964
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(1-(3,4-difluorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 135523965
N-[(R)-cyclopropyl(pyridin-2-yl)methyl]-3-[4-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-1H-indazole-5-carboxamide
CID 118735390

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047019) is N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NC(CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is PRQMKPLDKYLQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-16-3-1-2-14(10-16)19(12-27)24-21(28)15-4-5-18-17(11-15)20(26-25-18)13-6-8-23-9-7-13/h1-11,19,27H,12H2,(H,24,28)(H,25,26).
What are the key properties of N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).