8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide

C27H25N7O2 — CID 135307267

About 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide

8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide (PubChem CID 135307267) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide.

Molecular Properties

• Compound Name: 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide
• PubChem CID: 135307267
• Molecular Formula: C27H25N7O2
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.21
• IUPAC Name: 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide
• SMILES: O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2ccc(C3CC3)nc2)c2n(c1=O)CCC2
• InChI: InChI=1S/C27H25N7O2/c35-26(31-24-5-1-3-22(30-24)25-32-29-15-34(25)18-9-10-18)20-13-19(23-4-2-12-33(23)27(20)36)17-8-11-21(28-14-17)16-6-7-16/h1,3,5,8,11,13-16,18H,2,4,6-7,9-10,12H2,(H,30,31,35)
• InChIKey: GIEBUAJGJVSLJN-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 107.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide?

The IUPAC name of 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide (CID 135307267) is 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide.

What is the SMILES notation for 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide?

The canonical SMILES for 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(-c2ccc(C3CC3)nc2)c2n(c1=O)CCC2.

What is the InChIKey of 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide?

The InChIKey is GIEBUAJGJVSLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c35-26(31-24-5-1-3-22(30-24)25-32-29-15-34(25)18-9-10-18)20-13-19(23-4-2-12-33(23)27(20)36)17-8-11-21(28-14-17)16-6-7-16/h1,3,5,8,11,13-16,18H,2,4,6-7,9-10,12H2,(H,30,31,35).

What are the key properties of 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide?

8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide is sourced from PubChem (CID 135307267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).