5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

C25H22FN5O — CID 70978698

IUPAC5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC/C=C(/c1ccc(-c2cnn(C)c2)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C25H22FN5O/c1-4-21(18-7-5-17(6-8-18)20-12-29-31(3)15-20)19-9-10-24(28-11-19)30-25(32)22-13-27-14-23(26)16(22)2/h4-15H,1-3H3,(H,28,30,32)/b21-4-
InChIKeyKPAILJMSVFUPDF-IGLQUIOVSA-N
MW427.48 g/mol
LogP5.03
Rot. Bonds5

About 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide

5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 70978698) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID70978698
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESC/C=C(/c1ccc(-c2cnn(C)c2)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C25H22FN5O/c1-4-21(18-7-5-17(6-8-18)20-12-29-31(3)15-20)19-9-10-24(28-11-19)30-25(32)22-13-27-14-23(26)16(22)2/h4-15H,1-3H3,(H,28,30,32)/b21-4-
InChIKeyKPAILJMSVFUPDF-IGLQUIOVSA-N
XLogP5.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide (CID 70978698) is 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is C/C=C(/c1ccc(-c2cnn(C)c2)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is KPAILJMSVFUPDF-IGLQUIOVSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-4-21(18-7-5-17(6-8-18)20-12-29-31(3)15-20)19-9-10-24(28-11-19)30-25(32)22-13-27-14-23(26)16(22)2/h4-15H,1-3H3,(H,28,30,32)/b21-4-.
What are the key properties of 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide?
5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-N-[5-[(Z)-1-[4-(1-methylpyrazol-4-yl)phenyl]prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 70978698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).