(2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C27H24FN7O2 — CID 139469051

About (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

(2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 139469051) has the molecular formula C27H24FN7O2 and a molecular weight of 497.53 g/mol. Its IUPAC name is (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 139469051
• Molecular Formula: C27H24FN7O2
• Molecular Weight: 497.53 g/mol
• Exact Mass: 497.20
• IUPAC Name: (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)C3(C)C[C@H]3c3cnn(C)c3)ncc2c(N)n1
• InChI: InChI=1S/C27H24FN7O2/c1-14-6-16(25-30-4-5-37-25)7-20(28)23(14)21-8-15-9-22(31-12-18(15)24(29)33-21)34-26(36)27(2)10-19(27)17-11-32-35(3)13-17/h4-9,11-13,19H,10H2,1-3H3,(H2,29,33)(H,31,34,36)/t19-,27?/m0/s1
• InChIKey: IYTCUCBWXQRELN-JDEXWRGDSA-N
• XLogP: 4.85
• TPSA: 124.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.53
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 139469051) is (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)C3(C)C[C@H]3c3cnn(C)c3)ncc2c(N)n1.

What is the InChIKey of (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is IYTCUCBWXQRELN-JDEXWRGDSA-N. The full InChI is InChI=1S/C27H24FN7O2/c1-14-6-16(25-30-4-5-37-25)7-20(28)23(14)21-8-15-9-22(31-12-18(15)24(29)33-21)34-26(36)27(2)10-19(27)17-11-32-35(3)13-17/h4-9,11-13,19H,10H2,1-3H3,(H2,29,33)(H,31,34,36)/t19-,27?/m0/s1.

What are the key properties of (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

(2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139469051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).