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

C27H18ClN5O2 — CID 22978183

IUPAC4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(c1cccc(NC(=O)c2cc(Cl)ccn2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C27H18ClN5O2/c28-19-11-13-30-25(16-19)27(35)31-21-6-3-4-17(14-21)26(34)18-7-9-22-23(32-33-24(22)15-18)10-8-20-5-1-2-12-29-20/h1-16H,(H,31,35)(H,32,33)/b10-8+
InChIKeyKPCGFIVUAWLEKF-CSKARUKUSA-N
MW479.93 g/mol
LogP5.66
Rot. Bonds6

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

4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide (PubChem CID 22978183) has the molecular formula C27H18ClN5O2 and a molecular weight of 479.93 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
PubChem CID22978183
Molecular FormulaC27H18ClN5O2
Molecular Weight479.93 g/mol
Exact Mass479.11
IUPAC Name4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide
SMILESO=C(c1cccc(NC(=O)c2cc(Cl)ccn2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C27H18ClN5O2/c28-19-11-13-30-25(16-19)27(35)31-21-6-3-4-17(14-21)26(34)18-7-9-22-23(32-33-24(22)15-18)10-8-20-5-1-2-12-29-20/h1-16H,(H,31,35)(H,32,33)/b10-8+
InChIKeyKPCGFIVUAWLEKF-CSKARUKUSA-N
XLogP5.66
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.93
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide (CID 22978183) is 4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide is O=C(c1cccc(NC(=O)c2cc(Cl)ccn2)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of 4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide?
The InChIKey is KPCGFIVUAWLEKF-CSKARUKUSA-N. The full InChI is InChI=1S/C27H18ClN5O2/c28-19-11-13-30-25(16-19)27(35)31-21-6-3-4-17(14-21)26(34)18-7-9-22-23(32-33-24(22)15-18)10-8-20-5-1-2-12-29-20/h1-16H,(H,31,35)(H,32,33)/b10-8+.
What are the key properties of 4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide?
4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide has a molecular weight of 479.93 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 22978183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).