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

C26H20ClN5O2 — CID 162656459

IUPAC6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESCc1cccn(-c2ccc(-c3ccc4c(C(=O)NCc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O
InChIInChI=1S/C26H20ClN5O2/c1-16-3-2-12-32(26(16)34)19-5-7-20(22(27)14-19)18-4-6-21-23(13-18)30-31-24(21)25(33)29-15-17-8-10-28-11-9-17/h2-14H,15H2,1H3,(H,29,33)(H,30,31)
InChIKeyPOZJQDTZTIKKTO-UHFFFAOYSA-N
MW469.93 g/mol
LogP4.67
Rot. Bonds5

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

6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 162656459) has the molecular formula C26H20ClN5O2 and a molecular weight of 469.93 g/mol. Its IUPAC name is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID162656459
Molecular FormulaC26H20ClN5O2
Molecular Weight469.93 g/mol
Exact Mass469.13
IUPAC Name6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
SMILESCc1cccn(-c2ccc(-c3ccc4c(C(=O)NCc5ccncc5)n[nH]c4c3)c(Cl)c2)c1=O
InChIInChI=1S/C26H20ClN5O2/c1-16-3-2-12-32(26(16)34)19-5-7-20(22(27)14-19)18-4-6-21-23(13-18)30-31-24(21)25(33)29-15-17-8-10-28-11-9-17/h2-14H,15H2,1H3,(H,29,33)(H,30,31)
InChIKeyPOZJQDTZTIKKTO-UHFFFAOYSA-N
XLogP4.67
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 54.67
H-Bond Donors ≤ 52
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-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide (CID 162656459) is 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide is Cc1cccn(-c2ccc(-c3ccc4c(C(=O)NCc5ccncc5)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-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is POZJQDTZTIKKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O2/c1-16-3-2-12-32(26(16)34)19-5-7-20(22(27)14-19)18-4-6-21-23(13-18)30-31-24(21)25(33)29-15-17-8-10-28-11-9-17/h2-14H,15H2,1H3,(H,29,33)(H,30,31).
What are the key properties of 6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide?
6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 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-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 162656459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).