6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

C26H28FN5O2 — CID 155568924

IUPAC6-(5-fluoro-2-pyridinyl)-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)cn2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H28FN5O2/c1-5-6-17-9-16(4)31-26(34)21(17)13-29-25(33)20-10-18(23-8-7-19(27)12-28-23)11-24-22(20)14-30-32(24)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,29,33)(H,31,34)
InChIKeyRNBZYKQPAMPZJW-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.70
Rot. Bonds7

About 6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide

6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (PubChem CID 155568924) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide.

Molecular Properties

Compound Name6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
PubChem CID155568924
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name6-(5-fluoro-2-pyridinyl)-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)cn2)cc2c1cnn2C(C)C
InChIInChI=1S/C26H28FN5O2/c1-5-6-17-9-16(4)31-26(34)21(17)13-29-25(33)20-10-18(23-8-7-19(27)12-28-23)11-24-22(20)14-30-32(24)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,29,33)(H,31,34)
InChIKeyRNBZYKQPAMPZJW-UHFFFAOYSA-N
XLogP4.70
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The IUPAC name of 6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide (CID 155568924) is 6-(5-fluoro-2-pyridinyl)-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-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The canonical SMILES for 6-(5-fluoro-2-pyridinyl)-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)cn2)cc2c1cnn2C(C)C.
What is the InChIKey of 6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
The InChIKey is RNBZYKQPAMPZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-5-6-17-9-16(4)31-26(34)21(17)13-29-25(33)20-10-18(23-8-7-19(27)12-28-23)11-24-22(20)14-30-32(24)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3,(H,29,33)(H,31,34).
What are the key properties of 6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide?
6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-pyridinyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide is sourced from PubChem (CID 155568924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).