ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C29H35N7O3 — CID 121434909

About ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 121434909) has the molecular formula C29H35N7O3 and a molecular weight of 529.65 g/mol. Its IUPAC name is ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 121434909
• Molecular Formula: C29H35N7O3
• Molecular Weight: 529.65 g/mol
• Exact Mass: 529.28
• IUPAC Name: ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: CCOC(=O)N1CC=C(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CC56CCNCC6)cc4)nc23)CC1
• InChI: InChI=1S/C29H35N7O3/c1-3-39-28(38)35-17-10-20(11-18-35)23-5-4-16-36-25(23)32-27(33-36)31-22-8-6-21(7-9-22)26(37)34(2)24-19-29(24)12-14-30-15-13-29/h4-10,16,24,30H,3,11-15,17-19H2,1-2H3,(H,31,33)
• InChIKey: IOCFFFRKAIOHKL-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 104.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.65
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 121434909) is ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CCOC(=O)N1CC=C(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CC56CCNCC6)cc4)nc23)CC1.

What is the InChIKey of ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is IOCFFFRKAIOHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O3/c1-3-39-28(38)35-17-10-20(11-18-35)23-5-4-16-36-25(23)32-27(33-36)31-22-8-6-21(7-9-22)26(37)34(2)24-19-29(24)12-14-30-15-13-29/h4-10,16,24,30H,3,11-15,17-19H2,1-2H3,(H,31,33).

What are the key properties of ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?

ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 529.65 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[2-[4-[6-azaspiro[2.5]octan-2-yl(methyl)carbamoyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 121434909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).