cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C26H25F3N8O2 — CID 177186728

About cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 177186728) has the molecular formula C26H25F3N8O2 and a molecular weight of 538.53 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 177186728
• Molecular Formula: C26H25F3N8O2
• Molecular Weight: 538.53 g/mol
• Exact Mass: 538.21
• IUPAC Name: cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: O=C(Nc1cc2c(-c3nc4ccc(N5CCN(C6COC6)CC5)cn4n3)cnc(C(F)F)c2cn1)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C26H25F3N8O2/c27-20-7-17(20)26(38)32-21-8-16-18(9-30-21)23(24(28)29)31-10-19(16)25-33-22-2-1-14(11-37(22)34-25)35-3-5-36(6-4-35)15-12-39-13-15/h1-2,8-11,15,17,20,24H,3-7,12-13H2,(H,30,32,38)/t17-,20+/m1/s1
• InChIKey: RGIJXHYCMDKESF-XLIONFOSSA-N
• XLogP: 3.09
• TPSA: 100.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.53
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 177186728) is cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cc2c(-c3nc4ccc(N5CCN(C6COC6)CC5)cn4n3)cnc(C(F)F)c2cn1)[C@@H]1C[C@@H]1F.

What is the InChIKey of cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is RGIJXHYCMDKESF-XLIONFOSSA-N. The full InChI is InChI=1S/C26H25F3N8O2/c27-20-7-17(20)26(38)32-21-8-16-18(9-30-21)23(24(28)29)31-10-19(16)25-33-22-2-1-14(11-37(22)34-25)35-3-5-36(6-4-35)15-12-39-13-15/h1-2,8-11,15,17,20,24H,3-7,12-13H2,(H,30,32,38)/t17-,20+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 538.53 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[8-(difluoromethyl)-5-[6-[4-(oxetan-3-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 177186728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).