7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide

C27H21F2N7O — CID 146282391

IUPAC7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
SMILESCC1=NC(=CC=C1)C2=NN=C(N2C3=CC=CC=C3F)C4CC(C4)NC(=O)C5=C6C(=NC=C5)C=C(C=N6)F
InChIInChI=1S/C27H21F2N7O/c1-15-5-4-7-21(32-15)26-35-34-25(36(26)23-8-3-2-6-20(23)29)16-11-18(12-16)33-27(37)19-9-10-30-22-13-17(28)14-31-24(19)22/h2-10,13-14,16,18H,11-12H2,1H3,(H,33,37)
InChIKeyITIZYYXRCNBXRH-UHFFFAOYSA-N
MW497.50 g/mol
LogP3.20
Rot. Bonds5

About 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide

7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide (PubChem CID 146282391) has the molecular formula C27H21F2N7O and a molecular weight of 497.50 g/mol. Its IUPAC name is 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
PubChem CID146282391
Molecular FormulaC27H21F2N7O
Molecular Weight497.50 g/mol
Exact Mass497.18
IUPAC Name7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
SMILESCC1=NC(=CC=C1)C2=NN=C(N2C3=CC=CC=C3F)C4CC(C4)NC(=O)C5=C6C(=NC=C5)C=C(C=N6)F
InChIInChI=1S/C27H21F2N7O/c1-15-5-4-7-21(32-15)26-35-34-25(36(26)23-8-3-2-6-20(23)29)16-11-18(12-16)33-27(37)19-9-10-30-22-13-17(28)14-31-24(19)22/h2-10,13-14,16,18H,11-12H2,1H3,(H,33,37)
InChIKeyITIZYYXRCNBXRH-UHFFFAOYSA-N
XLogP3.20
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity801

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide with MolForge

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Related Compounds

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US10774086, Example 9
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US10774086, Example 12
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US10774086, Example 30
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7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 146277109
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CID 146277122
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CID 146277125

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide?
The IUPAC name of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide (CID 146282391) is 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide is CC1=NC(=CC=C1)C2=NN=C(N2C3=CC=CC=C3F)C4CC(C4)NC(=O)C5=C6C(=NC=C5)C=C(C=N6)F.
What is the InChIKey of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide?
The InChIKey is ITIZYYXRCNBXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7O/c1-15-5-4-7-21(32-15)26-35-34-25(36(26)23-8-3-2-6-20(23)29)16-11-18(12-16)33-27(37)19-9-10-30-22-13-17(28)14-31-24(19)22/h2-10,13-14,16,18H,11-12H2,1H3,(H,33,37).
What are the key properties of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide?
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 146282391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).