4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide

C28H19ClN4O2 — CID 22978184

IUPAC4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(c1cccc(NC(=O)c2cc(Cl)ccn2)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
InChIInChI=1S/C28H19ClN4O2/c29-21-13-14-30-26(17-21)28(35)31-22-8-4-7-19(15-22)27(34)20-10-11-23-24(32-33-25(23)16-20)12-9-18-5-2-1-3-6-18/h1-17H,(H,31,35)(H,32,33)/b12-9+
InChIKeyYHYAOULYMNYCJH-FMIVXFBMSA-N
MW478.94 g/mol
LogP6.26
Rot. Bonds6

About 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide

4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide (PubChem CID 22978184) has the molecular formula C28H19ClN4O2 and a molecular weight of 478.94 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
PubChem CID22978184
Molecular FormulaC28H19ClN4O2
Molecular Weight478.94 g/mol
Exact Mass478.12
IUPAC Name4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(c1cccc(NC(=O)c2cc(Cl)ccn2)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
InChIInChI=1S/C28H19ClN4O2/c29-21-13-14-30-26(17-21)28(35)31-22-8-4-7-19(15-22)27(34)20-10-11-23-24(32-33-25(23)16-20)12-9-18-5-2-1-3-6-18/h1-17H,(H,31,35)(H,32,33)/b12-9+
InChIKeyYHYAOULYMNYCJH-FMIVXFBMSA-N
XLogP6.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.94
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide (CID 22978184) is 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide is O=C(c1cccc(NC(=O)c2cc(Cl)ccn2)c1)c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.
What is the InChIKey of 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide?
The InChIKey is YHYAOULYMNYCJH-FMIVXFBMSA-N. The full InChI is InChI=1S/C28H19ClN4O2/c29-21-13-14-30-26(17-21)28(35)31-22-8-4-7-19(15-22)27(34)20-10-11-23-24(32-33-25(23)16-20)12-9-18-5-2-1-3-6-18/h1-17H,(H,31,35)(H,32,33)/b12-9+.
What are the key properties of 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide?
4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 22978184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).