1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea

C29H29N5O2 — CID 59425848

About 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea

1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 59425848) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea
• PubChem CID: 59425848
• Molecular Formula: C29H29N5O2
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.23
• IUPAC Name: 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea
• SMILES: Cc1cccn(-c2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)c1=O
• InChI: InChI=1S/C29H29N5O2/c1-18(2)31-29(36)32-21-11-9-20(10-12-21)27-25(17-30)24-14-13-23(33-15-5-6-19(3)28(33)35)16-26(24)34(27)22-7-4-8-22/h5-6,9-16,18,22H,4,7-8H2,1-3H3,(H2,31,32,36)
• InChIKey: FUNNKPWWZJZPSG-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 91.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea?

The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea (CID 59425848) is 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea?

The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea is Cc1cccn(-c2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)c1=O.

What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea?

The InChIKey is FUNNKPWWZJZPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-18(2)31-29(36)32-21-11-9-20(10-12-21)27-25(17-30)24-14-13-23(33-15-5-6-19(3)28(33)35)16-26(24)34(27)22-7-4-8-22/h5-6,9-16,18,22H,4,7-8H2,1-3H3,(H2,31,32,36).

What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea?

1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 479.58 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-cyano-1-cyclobutyl-6-(3-methyl-2-oxo-1-pyridinyl)indol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 59425848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).