N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide

C26H25F2N5O2 — CID 170968332

About N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide

N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 170968332) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
• PubChem CID: 170968332
• Molecular Formula: C26H25F2N5O2
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.20
• IUPAC Name: N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
• SMILES: CCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4(F)F)cc3n3cc(C4CC4)nc23)cn1
• InChI: InChI=1S/C26H25F2N5O2/c1-3-22(34)19-6-13(2)17(11-29-19)16-7-15-10-30-23(32-25(35)18-9-26(18,27)28)8-21(15)33-12-20(14-4-5-14)31-24(16)33/h6-8,10-12,14,18,22,34H,3-5,9H2,1-2H3,(H,30,32,35)
• InChIKey: SUDXUSNNGPHLNC-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 92.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide?

The IUPAC name of N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 170968332) is N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide.

What is the SMILES notation for N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide?

The canonical SMILES for N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide is CCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4(F)F)cc3n3cc(C4CC4)nc23)cn1.

What is the InChIKey of N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide?

The InChIKey is SUDXUSNNGPHLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-3-22(34)19-6-13(2)17(11-29-19)16-7-15-10-30-23(32-25(35)18-9-26(18,27)28)8-21(15)33-12-20(14-4-5-14)31-24(16)33/h6-8,10-12,14,18,22,34H,3-5,9H2,1-2H3,(H,30,32,35).

What are the key properties of N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide?

N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 170968332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).