6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide

C22H19ClN4O3 — CID 162651993

IUPAC6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide
SMILESCc1cccn(-c2ccc(-c3ccc4c(C(=O)NCCO)n[nH]c4c3)c(Cl)c2)c1=O
InChIInChI=1S/C22H19ClN4O3/c1-13-3-2-9-27(22(13)30)15-5-7-16(18(23)12-15)14-4-6-17-19(11-14)25-26-20(17)21(29)24-8-10-28/h2-7,9,11-12,28H,8,10H2,1H3,(H,24,29)(H,25,26)
InChIKeyUOVKGICCJYEBQD-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.06
Rot. Bonds5

About 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide

6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide (PubChem CID 162651993) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide
PubChem CID162651993
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide
SMILESCc1cccn(-c2ccc(-c3ccc4c(C(=O)NCCO)n[nH]c4c3)c(Cl)c2)c1=O
InChIInChI=1S/C22H19ClN4O3/c1-13-3-2-9-27(22(13)30)15-5-7-16(18(23)12-15)14-4-6-17-19(11-14)25-26-20(17)21(29)24-8-10-28/h2-7,9,11-12,28H,8,10H2,1H3,(H,24,29)(H,25,26)
InChIKeyUOVKGICCJYEBQD-UHFFFAOYSA-N
XLogP3.06
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide (CID 162651993) is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide is Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCCO)n[nH]c4c3)c(Cl)c2)c1=O.
What is the InChIKey of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide?
The InChIKey is UOVKGICCJYEBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-13-3-2-9-27(22(13)30)15-5-7-16(18(23)12-15)14-4-6-17-19(11-14)25-26-20(17)21(29)24-8-10-28/h2-7,9,11-12,28H,8,10H2,1H3,(H,24,29)(H,25,26).
What are the key properties of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide?
6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 162651993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).