N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide

C26H28F2N6O3 — CID 138463595

About N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide

N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide (PubChem CID 138463595) has the molecular formula C26H28F2N6O3 and a molecular weight of 510.55 g/mol. Its IUPAC name is N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide
• PubChem CID: 138463595
• Molecular Formula: C26H28F2N6O3
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.22
• IUPAC Name: N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide
• SMILES: CCC(=O)NC(C)CN(c1ccc2ncc(-c3cnn(C)c3)cc2n1)c1c(F)c(OC)cc(OC)c1F
• InChI: InChI=1S/C26H28F2N6O3/c1-6-23(35)31-15(2)13-34(26-24(27)20(36-4)10-21(37-5)25(26)28)22-8-7-18-19(32-22)9-16(11-29-18)17-12-30-33(3)14-17/h7-12,14-15H,6,13H2,1-5H3,(H,31,35)
• InChIKey: VAPKBWFPWXNYJY-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 94.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide?

The IUPAC name of N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide (CID 138463595) is N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide.

What is the SMILES notation for N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide?

The canonical SMILES for N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide is CCC(=O)NC(C)CN(c1ccc2ncc(-c3cnn(C)c3)cc2n1)c1c(F)c(OC)cc(OC)c1F.

What is the InChIKey of N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide?

The InChIKey is VAPKBWFPWXNYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O3/c1-6-23(35)31-15(2)13-34(26-24(27)20(36-4)10-21(37-5)25(26)28)22-8-7-18-19(32-22)9-16(11-29-18)17-12-30-33(3)14-17/h7-12,14-15H,6,13H2,1-5H3,(H,31,35).

What are the key properties of N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide?

N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide has a molecular weight of 510.55 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)propan-2-yl]propanamide is sourced from PubChem (CID 138463595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).