1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one

C27H29F3N8O2 — CID 160611676

About 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one

1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one (PubChem CID 160611676) has the molecular formula C27H29F3N8O2 and a molecular weight of 554.58 g/mol. Its IUPAC name is 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one
• PubChem CID: 160611676
• Molecular Formula: C27H29F3N8O2
• Molecular Weight: 554.58 g/mol
• Exact Mass: 554.24
• IUPAC Name: 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one
• SMILES: CN1CCN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)CCc5nccc(OC(F)F)c5F)nn4)nc23)CC1
• InChI: InChI=1S/C27H29F3N8O2/c1-35-8-10-36(11-9-35)22-12-18(17-2-3-17)13-37-14-19(32-26(22)37)15-38-16-21(33-34-38)23(39)5-4-20-25(28)24(6-7-31-20)40-27(29)30/h6-7,12-14,16-17,27H,2-5,8-11,15H2,1H3
• InChIKey: RFOLDXPIEQWSML-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 93.68 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.58
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one?

The IUPAC name of 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one (CID 160611676) is 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one.

What is the SMILES notation for 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one?

The canonical SMILES for 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one is CN1CCN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)CCc5nccc(OC(F)F)c5F)nn4)nc23)CC1.

What is the InChIKey of 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one?

The InChIKey is RFOLDXPIEQWSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N8O2/c1-35-8-10-36(11-9-35)22-12-18(17-2-3-17)13-37-14-19(32-26(22)37)15-38-16-21(33-34-38)23(39)5-4-20-25(28)24(6-7-31-20)40-27(29)30/h6-7,12-14,16-17,27H,2-5,8-11,15H2,1H3.

What are the key properties of 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one?

1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one has a molecular weight of 554.58 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-[4-(difluoromethoxy)-3-fluoro-2-pyridinyl]propan-1-one is sourced from PubChem (CID 160611676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).