2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide

C29H20F2N4O2 — CID 69370912

IUPAC2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cccc(C(=O)c2ccc3cnn(C=Cc4ccccn4)c3c2)c1
InChIInChI=1S/C29H20F2N4O2/c30-23-12-19(13-24(31)17-23)14-28(36)34-26-6-3-4-20(15-26)29(37)21-7-8-22-18-33-35(27(22)16-21)11-9-25-5-1-2-10-32-25/h1-13,15-18H,14H2,(H,34,36)
InChIKeyHNKOOJFACVUURH-UHFFFAOYSA-N
MW494.50 g/mol
LogP5.75
Rot. Bonds7

About 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide

2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide (PubChem CID 69370912) has the molecular formula C29H20F2N4O2 and a molecular weight of 494.50 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide
PubChem CID69370912
Molecular FormulaC29H20F2N4O2
Molecular Weight494.50 g/mol
Exact Mass494.16
IUPAC Name2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cccc(C(=O)c2ccc3cnn(C=Cc4ccccn4)c3c2)c1
InChIInChI=1S/C29H20F2N4O2/c30-23-12-19(13-24(31)17-23)14-28(36)34-26-6-3-4-20(15-26)29(37)21-7-8-22-18-33-35(27(22)16-21)11-9-25-5-1-2-10-32-25/h1-13,15-18H,14H2,(H,34,36)
InChIKeyHNKOOJFACVUURH-UHFFFAOYSA-N
XLogP5.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.50
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide (CID 69370912) is 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide is O=C(Cc1cc(F)cc(F)c1)Nc1cccc(C(=O)c2ccc3cnn(C=Cc4ccccn4)c3c2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide?
The InChIKey is HNKOOJFACVUURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F2N4O2/c30-23-12-19(13-24(31)17-23)14-28(36)34-26-6-3-4-20(15-26)29(37)21-7-8-22-18-33-35(27(22)16-21)11-9-25-5-1-2-10-32-25/h1-13,15-18H,14H2,(H,34,36).
What are the key properties of 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide?
2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide has a molecular weight of 494.50 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[3-[1-(2-pyridin-2-ylethenyl)indazole-6-carbonyl]phenyl]acetamide is sourced from PubChem (CID 69370912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).