(E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol

C23H20ClFN4O — CID 139495090

About (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol

(E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol (PubChem CID 139495090) has the molecular formula C23H20ClFN4O and a molecular weight of 422.89 g/mol. Its IUPAC name is (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol.

Molecular Properties

• Compound Name: (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol
• PubChem CID: 139495090
• Molecular Formula: C23H20ClFN4O
• Molecular Weight: 422.89 g/mol
• Exact Mass: 422.13
• IUPAC Name: (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol
• SMILES: CN(C)/C=C/[C@@H](O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
• InChI: InChI=1S/C23H20ClFN4O/c1-28(2)11-9-21(30)20-13-27-22-8-6-16(14-29(20)22)17-4-3-10-26-23(17)15-5-7-19(25)18(24)12-15/h3-14,21,30H,1-2H3/b11-9+/t21-/m1/s1
• InChIKey: UAMJVEJPEXUHBP-FKVRIVCVSA-N
• XLogP: 4.96
• TPSA: 53.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.89
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol?

The IUPAC name of (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol (CID 139495090) is (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol.

What is the SMILES notation for (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol?

The canonical SMILES for (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol is CN(C)/C=C/[C@@H](O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12.

What is the InChIKey of (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol?

The InChIKey is UAMJVEJPEXUHBP-FKVRIVCVSA-N. The full InChI is InChI=1S/C23H20ClFN4O/c1-28(2)11-9-21(30)20-13-27-22-8-6-16(14-29(20)22)17-4-3-10-26-23(17)15-5-7-19(25)18(24)12-15/h3-14,21,30H,1-2H3/b11-9+/t21-/m1/s1.

What are the key properties of (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol?

(E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol has a molecular weight of 422.89 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E,1R)-1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-ol is sourced from PubChem (CID 139495090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).