6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

C27H29FN4O2 — CID 155555991

IUPAC6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(F)cc2)cc2c1cnn2C(C)C
InChIInChI=1S/C27H29FN4O2/c1-5-6-19-11-17(4)31-27(34)23(19)14-29-26(33)22-12-20(18-7-9-21(28)10-8-18)13-25-24(22)15-30-32(25)16(2)3/h7-13,15-16H,5-6,14H2,1-4H3,(H,29,33)(H,31,34)
InChIKeyPISZOYJJQULKKF-UHFFFAOYSA-N
MW460.55 g/mol
LogP5.30
Rot. Bonds7

About 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (PubChem CID 155555991) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
PubChem CID155555991
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC Name6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(F)cc2)cc2c1cnn2C(C)C
InChIInChI=1S/C27H29FN4O2/c1-5-6-19-11-17(4)31-27(34)23(19)14-29-26(33)22-12-20(18-7-9-21(28)10-8-18)13-25-24(22)15-30-32(25)16(2)3/h7-13,15-16H,5-6,14H2,1-4H3,(H,29,33)(H,31,34)
InChIKeyPISZOYJJQULKKF-UHFFFAOYSA-N
XLogP5.30
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (CID 155555991) is 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(F)cc2)cc2c1cnn2C(C)C.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is PISZOYJJQULKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-5-6-19-11-17(4)31-27(34)23(19)14-29-26(33)22-12-20(18-7-9-21(28)10-8-18)13-25-24(22)15-30-32(25)16(2)3/h7-13,15-16H,5-6,14H2,1-4H3,(H,29,33)(H,31,34).
What are the key properties of 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 460.55 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 155555991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).