2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol

C24H30FN3O2 — CID 67215876

About 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol

2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol (PubChem CID 67215876) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol.

Molecular Properties

• Compound Name: 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol
• PubChem CID: 67215876
• Molecular Formula: C24H30FN3O2
• Molecular Weight: 411.52 g/mol
• Exact Mass: 411.23
• IUPAC Name: 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol
• SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc2ccncc2[nH]1)C1CCC1
• InChI: InChI=1S/C24H30FN3O2/c1-23(2,19-12-18(25)7-8-21(19)30-3)14-24(29,17-5-4-6-17)15-27-22-11-16-9-10-26-13-20(16)28-22/h7-13,17,27-29H,4-6,14-15H2,1-3H3
• InChIKey: KAIBXQWOLKIUQI-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 70.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.52
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol?

The IUPAC name of 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol (CID 67215876) is 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol.

What is the SMILES notation for 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol?

The canonical SMILES for 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc2ccncc2[nH]1)C1CCC1.

What is the InChIKey of 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol?

The InChIKey is KAIBXQWOLKIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-23(2,19-12-18(25)7-8-21(19)30-3)14-24(29,17-5-4-6-17)15-27-22-11-16-9-10-26-13-20(16)28-22/h7-13,17,27-29H,4-6,14-15H2,1-3H3.

What are the key properties of 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol?

2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol has a molecular weight of 411.52 g/mol, XLogP of 5.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-ylamino)pentan-2-ol is sourced from PubChem (CID 67215876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).