7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

C22H16ClF4N7O — CID 178092762

About 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178092762) has the molecular formula C22H16ClF4N7O and a molecular weight of 505.86 g/mol. Its IUPAC name is 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 178092762
• Molecular Formula: C22H16ClF4N7O
• Molecular Weight: 505.86 g/mol
• Exact Mass: 505.10
• IUPAC Name: 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cn1cc(-c2ccn3c(C(=O)NC4C=C(C(F)(F)F)C=CC4F)cnc3c2Cl)c2c(N)ncnc21
• InChI: InChI=1S/C22H16ClF4N7O/c1-33-8-12(16-18(28)30-9-31-19(16)33)11-4-5-34-15(7-29-20(34)17(11)23)21(35)32-14-6-10(22(25,26)27)2-3-13(14)24/h2-9,13-14H,1H3,(H,32,35)(H2,28,30,31)
• InChIKey: WJQOLCQLOVTXGI-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 103.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.86
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 178092762) is 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cn1cc(-c2ccn3c(C(=O)NC4C=C(C(F)(F)F)C=CC4F)cnc3c2Cl)c2c(N)ncnc21.

What is the InChIKey of 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is WJQOLCQLOVTXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N7O/c1-33-8-12(16-18(28)30-9-31-19(16)33)11-4-5-34-15(7-29-20(34)17(11)23)21(35)32-14-6-10(22(25,26)27)2-3-13(14)24/h2-9,13-14H,1H3,(H,32,35)(H2,28,30,31).

What are the key properties of 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?

7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 505.86 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-chloro-N-[6-fluoro-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178092762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).