(1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

C26H32F3N7O3 — CID 134265397

About (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate

(1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (PubChem CID 134265397) has the molecular formula C26H32F3N7O3 and a molecular weight of 547.58 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.

Molecular Properties

• Compound Name: (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
• PubChem CID: 134265397
• Molecular Formula: C26H32F3N7O3
• Molecular Weight: 547.58 g/mol
• Exact Mass: 547.25
• IUPAC Name: (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
• SMILES: C[C@@H]1CN(c2ccnc3c2CCN(C(=O)OC2(C)CC2)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C26H32F3N7O3/c1-16-13-33(20-3-8-30-19-14-35(10-5-18(19)20)24(38)39-25(2)6-7-25)9-4-17(16)22(37)34-11-12-36-21(15-34)31-32-23(36)26(27,28)29/h3,8,16-17H,4-7,9-15H2,1-2H3/t16-,17+/m1/s1
• InChIKey: IPNSKMSWCZVMRN-SJORKVTESA-N
• XLogP: 3.24
• TPSA: 96.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.58
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?

The IUPAC name of (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate (CID 134265397) is (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate.

What is the SMILES notation for (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?

The canonical SMILES for (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is C[C@@H]1CN(c2ccnc3c2CCN(C(=O)OC2(C)CC2)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.

What is the InChIKey of (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?

The InChIKey is IPNSKMSWCZVMRN-SJORKVTESA-N. The full InChI is InChI=1S/C26H32F3N7O3/c1-16-13-33(20-3-8-30-19-14-35(10-5-18(19)20)24(38)39-25(2)6-7-25)9-4-17(16)22(37)34-11-12-36-21(15-34)31-32-23(36)26(27,28)29/h3,8,16-17H,4-7,9-15H2,1-2H3/t16-,17+/m1/s1.

What are the key properties of (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate?

(1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate has a molecular weight of 547.58 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylcyclopropyl) 4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate is sourced from PubChem (CID 134265397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).