5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine

C23H28FN3O — CID 69050671

About 5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine

5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine (PubChem CID 69050671) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine.

Molecular Properties

• Compound Name: 5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine
• PubChem CID: 69050671
• Molecular Formula: C23H28FN3O
• Molecular Weight: 381.50 g/mol
• Exact Mass: 381.22
• IUPAC Name: 5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine
• SMILES: COc1ccc(F)cc1C(C)(CC(N)Cc1cc2ccncc2[nH]1)CC1CC1
• InChI: InChI=1S/C23H28FN3O/c1-23(12-15-3-4-15,20-10-17(24)5-6-22(20)28-2)13-18(25)11-19-9-16-7-8-26-14-21(16)27-19/h5-10,14-15,18,27H,3-4,11-13,25H2,1-2H3
• InChIKey: URVNOXMAWHLQOO-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 63.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.50
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine (CID 69050671) is 5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine.

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

The canonical SMILES for 5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine is COc1ccc(F)cc1C(C)(CC(N)Cc1cc2ccncc2[nH]1)CC1CC1.

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

The InChIKey is URVNOXMAWHLQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-23(12-15-3-4-15,20-10-17(24)5-6-22(20)28-2)13-18(25)11-19-9-16-7-8-26-14-21(16)27-19/h5-10,14-15,18,27H,3-4,11-13,25H2,1-2H3.

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

5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine has a molecular weight of 381.50 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-4-(5-fluoro-2-methoxyphenyl)-4-methyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-amine is sourced from PubChem (CID 69050671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).