(2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide

C27H28F2N8O2 — CID 177186877

About (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide

(2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 177186877) has the molecular formula C27H28F2N8O2 and a molecular weight of 534.57 g/mol. Its IUPAC name is (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide
• PubChem CID: 177186877
• Molecular Formula: C27H28F2N8O2
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.23
• IUPAC Name: (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide
• SMILES: CN1CC[C@]2(C[C@H]2C(=O)Nc2cc3c(-c4nc5ccc(N6CCOCC6)cn5n4)cnc(C(F)F)c3cn2)C1
• InChI: InChI=1S/C27H28F2N8O2/c1-35-5-4-27(15-35)11-20(27)26(38)32-21-10-17-18(12-30-21)23(24(28)29)31-13-19(17)25-33-22-3-2-16(14-37(22)34-25)36-6-8-39-9-7-36/h2-3,10,12-14,20,24H,4-9,11,15H2,1H3,(H,30,32,38)/t20-,27-/m0/s1
• InChIKey: QVLVOEVEUURSPI-DCFHFQCYSA-N
• XLogP: 3.39
• TPSA: 100.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide?

The IUPAC name of (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide (CID 177186877) is (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide.

What is the SMILES notation for (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide?

The canonical SMILES for (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide is CN1CC[C@]2(C[C@H]2C(=O)Nc2cc3c(-c4nc5ccc(N6CCOCC6)cn5n4)cnc(C(F)F)c3cn2)C1.

What is the InChIKey of (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide?

The InChIKey is QVLVOEVEUURSPI-DCFHFQCYSA-N. The full InChI is InChI=1S/C27H28F2N8O2/c1-35-5-4-27(15-35)11-20(27)26(38)32-21-10-17-18(12-30-21)23(24(28)29)31-13-19(17)25-33-22-3-2-16(14-37(22)34-25)36-6-8-39-9-7-36/h2-3,10,12-14,20,24H,4-9,11,15H2,1H3,(H,30,32,38)/t20-,27-/m0/s1.

What are the key properties of (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide?

(2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 534.57 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-N-[8-(difluoromethyl)-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]-5-methyl-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 177186877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).