N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

C27H23FN4O — CID 166774202

IUPACN-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESC=C(/C=C\C(=C/C)NC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12)Cc1ccc(F)cc1
InChIInChI=1S/C27H23FN4O/c1-3-23(12-6-18(2)15-19-7-10-22(28)11-8-19)30-27(33)26-24-16-20(9-13-25(24)31-32-26)21-5-4-14-29-17-21/h3-14,16-17H,2,15H2,1H3,(H,30,33)(H,31,32)/b12-6-,23-3+
InChIKeyDDUGBIRHPBPFAM-CIVJFRGLSA-N
MW438.51 g/mol
LogP5.75
Rot. Bonds7

About N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 166774202) has the molecular formula C27H23FN4O and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID166774202
Molecular FormulaC27H23FN4O
Molecular Weight438.51 g/mol
Exact Mass438.19
IUPAC NameN-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESC=C(/C=C\C(=C/C)NC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12)Cc1ccc(F)cc1
InChIInChI=1S/C27H23FN4O/c1-3-23(12-6-18(2)15-19-7-10-22(28)11-8-19)30-27(33)26-24-16-20(9-13-25(24)31-32-26)21-5-4-14-29-17-21/h3-14,16-17H,2,15H2,1H3,(H,30,33)(H,31,32)/b12-6-,23-3+
InChIKeyDDUGBIRHPBPFAM-CIVJFRGLSA-N
XLogP5.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethyl-4-oxobutyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 174835213
N-[(2E,4Z)-6-(4,4-difluorocyclohexyl)hepta-2,4,6-trien-3-yl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 134460455
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472
N-(oxan-4-ylmethyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 146241690
N-[(1-propan-2-ylazetidin-3-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382047
5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[(2E,4Z)-6-pyrrolidin-1-ylhepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide
CID 166774231
N-(4-cyanophenyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89459269
5-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 118382105
N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89444854
N-(6-propan-2-yloxy-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382344
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane
CID 144555152
N-(1-phenylcyclopropyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381215

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 166774202) is N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is C=C(/C=C\C(=C/C)NC(=O)c1n[nH]c2ccc(-c3cccnc3)cc12)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is DDUGBIRHPBPFAM-CIVJFRGLSA-N. The full InChI is InChI=1S/C27H23FN4O/c1-3-23(12-6-18(2)15-19-7-10-22(28)11-8-19)30-27(33)26-24-16-20(9-13-25(24)31-32-26)21-5-4-14-29-17-21/h3-14,16-17H,2,15H2,1H3,(H,30,33)(H,31,32)/b12-6-,23-3+.
What are the key properties of N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-6-[(4-fluorophenyl)methyl]hepta-2,4,6-trien-3-yl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 166774202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).