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

C20H15ClN4O — CID 127047016

IUPACN-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C20H15ClN4O/c21-17-4-2-1-3-15(17)12-23-20(26)14-5-6-18-16(11-14)19(25-24-18)13-7-9-22-10-8-13/h1-11H,12H2,(H,23,26)(H,24,25)
InChIKeyANAUUYFWVFDXFS-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.21
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047016) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047016
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C20H15ClN4O/c21-17-4-2-1-3-15(17)12-23-20(26)14-5-6-18-16(11-14)19(25-24-18)13-7-9-22-10-8-13/h1-11H,12H2,(H,23,26)(H,24,25)
InChIKeyANAUUYFWVFDXFS-UHFFFAOYSA-N
XLogP4.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047016) is N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NCc1ccccc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is ANAUUYFWVFDXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-17-4-2-1-3-15(17)12-23-20(26)14-5-6-18-16(11-14)19(25-24-18)13-7-9-22-10-8-13/h1-11H,12H2,(H,23,26)(H,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).