3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide

C19H13ClN4O — CID 56646474

IUPAC3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide
SMILESNC(=O)c1cccc2c(Cl)n(-c3ccc(-c4cccnc4)cc3)nc12
InChIInChI=1S/C19H13ClN4O/c20-18-15-4-1-5-16(19(21)25)17(15)23-24(18)14-8-6-12(7-9-14)13-3-2-10-22-11-13/h1-11H,(H2,21,25)
InChIKeyBMJQQNBDPGBMEZ-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.84
Rot. Bonds3

About 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide

3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide (PubChem CID 56646474) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide.

Molecular Properties

Compound Name3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide
PubChem CID56646474
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide
SMILESNC(=O)c1cccc2c(Cl)n(-c3ccc(-c4cccnc4)cc3)nc12
InChIInChI=1S/C19H13ClN4O/c20-18-15-4-1-5-16(19(21)25)17(15)23-24(18)14-8-6-12(7-9-14)13-3-2-10-22-11-13/h1-11H,(H2,21,25)
InChIKeyBMJQQNBDPGBMEZ-UHFFFAOYSA-N
XLogP3.84
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide?
The IUPAC name of 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide (CID 56646474) is 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide.
What is the SMILES notation for 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide?
The canonical SMILES for 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide is NC(=O)c1cccc2c(Cl)n(-c3ccc(-c4cccnc4)cc3)nc12.
What is the InChIKey of 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide?
The InChIKey is BMJQQNBDPGBMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-18-15-4-1-5-16(19(21)25)17(15)23-24(18)14-8-6-12(7-9-14)13-3-2-10-22-11-13/h1-11H,(H2,21,25).
What are the key properties of 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide?
3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-pyridin-3-ylphenyl)indazole-7-carboxamide is sourced from PubChem (CID 56646474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).