4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile

C28H23N7O — CID 172608571

About 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile

4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile (PubChem CID 172608571) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile.

Molecular Properties

• Compound Name: 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
• PubChem CID: 172608571
• Molecular Formula: C28H23N7O
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.20
• IUPAC Name: 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
• SMILES: Cn1cnnc1-c1cc(C#N)ccc1-c1cc(C2CC2)nc(-n2cc(C3CC3)c3cc[nH]c3c2=O)c1
• InChI: InChI=1S/C28H23N7O/c1-34-15-31-33-27(34)22-10-16(13-29)2-7-20(22)19-11-24(18-5-6-18)32-25(12-19)35-14-23(17-3-4-17)21-8-9-30-26(21)28(35)36/h2,7-12,14-15,17-18,30H,3-6H2,1H3
• InChIKey: UFQCFUKYPFCNOI-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 105.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile?

The IUPAC name of 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile (CID 172608571) is 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile.

What is the SMILES notation for 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile?

The canonical SMILES for 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile is Cn1cnnc1-c1cc(C#N)ccc1-c1cc(C2CC2)nc(-n2cc(C3CC3)c3cc[nH]c3c2=O)c1.

What is the InChIKey of 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile?

The InChIKey is UFQCFUKYPFCNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c1-34-15-31-33-27(34)22-10-16(13-29)2-7-20(22)19-11-24(18-5-6-18)32-25(12-19)35-14-23(17-3-4-17)21-8-9-30-26(21)28(35)36/h2,7-12,14-15,17-18,30H,3-6H2,1H3.

What are the key properties of 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile?

4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile has a molecular weight of 473.54 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclopropyl-6-(4-cyclopropyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile is sourced from PubChem (CID 172608571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).