N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C23H20FN5O — CID 71115412

IUPACN-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2ccnn2C)n1
InChIInChI=1S/C23H20FN5O/c1-13-3-6-16(24)10-17(13)19-9-15-12-25-21(28-23(30)14-4-5-14)11-18(15)22(27-19)20-7-8-26-29(20)2/h3,6-12,14H,4-5H2,1-2H3,(H,25,28,30)
InChIKeyTZFHXDXRZWOPSJ-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.49
Rot. Bonds4

About N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 71115412) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID71115412
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2ccnn2C)n1
InChIInChI=1S/C23H20FN5O/c1-13-3-6-16(24)10-17(13)19-9-15-12-25-21(28-23(30)14-4-5-14)11-18(15)22(27-19)20-7-8-26-29(20)2/h3,6-12,14H,4-5H2,1-2H3,(H,25,28,30)
InChIKeyTZFHXDXRZWOPSJ-UHFFFAOYSA-N
XLogP4.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 71115412) is N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2ccnn2C)n1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is TZFHXDXRZWOPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-13-3-6-16(24)10-17(13)19-9-15-12-25-21(28-23(30)14-4-5-14)11-18(15)22(27-19)20-7-8-26-29(20)2/h3,6-12,14H,4-5H2,1-2H3,(H,25,28,30).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 401.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)-5-(2-methylpyrazol-3-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).