N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide

C25H20N4O2 — CID 134136456

IUPACN-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(c1cccc(NC(=O)C2CC2)c1)c1ccc2n[nH]c(/C=C/c3ccccn3)c2c1
InChIInChI=1S/C25H20N4O2/c30-24(17-4-3-6-20(14-17)27-25(31)16-7-8-16)18-9-11-22-21(15-18)23(29-28-22)12-10-19-5-1-2-13-26-19/h1-6,9-16H,7-8H2,(H,27,31)(H,28,29)/b12-10+
InChIKeyUWUGPNROWDYDDJ-ZRDIBKRKSA-N
MW408.46 g/mol
LogP4.71
Rot. Bonds6

About N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide

N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide (PubChem CID 134136456) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide
PubChem CID134136456
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(c1cccc(NC(=O)C2CC2)c1)c1ccc2n[nH]c(/C=C/c3ccccn3)c2c1
InChIInChI=1S/C25H20N4O2/c30-24(17-4-3-6-20(14-17)27-25(31)16-7-8-16)18-9-11-22-21(15-18)23(29-28-22)12-10-19-5-1-2-13-26-19/h1-6,9-16H,7-8H2,(H,27,31)(H,28,29)/b12-10+
InChIKeyUWUGPNROWDYDDJ-ZRDIBKRKSA-N
XLogP4.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Niraparib
CID 24958200
PF-477736
CID 135565545
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.0^{4,13]trideca-1(12),2,4,6,8(13)-pentaen-6-yl]acetamide
CID 135984730
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
1,4-Dihydro-1'-(1H-indazol-5-ylcarbonyl)-1-(1-methylethyl)spiro(5H-indazole-5,4'-piperidin)-7(6H)-one
CID 52934178
4-(4-fluoro-3-((pyridin-2-ylmethyl)carbamoyl)phenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 118888941
2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-phenylethanone
CID 136188827
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 11291810

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide (CID 134136456) is N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide is O=C(c1cccc(NC(=O)C2CC2)c1)c1ccc2n[nH]c(/C=C/c3ccccn3)c2c1.
What is the InChIKey of N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is UWUGPNROWDYDDJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-24(17-4-3-6-20(14-17)27-25(31)16-7-8-16)18-9-11-22-21(15-18)23(29-28-22)12-10-19-5-1-2-13-26-19/h1-6,9-16H,7-8H2,(H,27,31)(H,28,29)/b12-10+.
What are the key properties of N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide?
N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carbonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134136456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).