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

C23H14F4N8O — CID 178092732

IUPAC7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1cc(-c2ccn3c(C(=O)Nc4cc(C(F)(F)F)ccc4F)cnc3c2C#N)c2c(N)ncnc21
InChIInChI=1S/C23H14F4N8O/c1-34-9-14(18-19(29)31-10-32-21(18)34)12-4-5-35-17(8-30-20(35)13(12)7-28)22(36)33-16-6-11(23(25,26)27)2-3-15(16)24/h2-6,8-10H,1H3,(H,33,36)(H2,29,31,32)
InChIKeyZWRGJZIBZPBZHR-UHFFFAOYSA-N
MW494.41 g/mol
LogP4.15
Rot. Bonds3

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

7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178092732) has the molecular formula C23H14F4N8O and a molecular weight of 494.41 g/mol. Its IUPAC name is 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID178092732
Molecular FormulaC23H14F4N8O
Molecular Weight494.41 g/mol
Exact Mass494.12
IUPAC Name7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCn1cc(-c2ccn3c(C(=O)Nc4cc(C(F)(F)F)ccc4F)cnc3c2C#N)c2c(N)ncnc21
InChIInChI=1S/C23H14F4N8O/c1-34-9-14(18-19(29)31-10-32-21(18)34)12-4-5-35-17(8-30-20(35)13(12)7-28)22(36)33-16-6-11(23(25,26)27)2-3-15(16)24/h2-6,8-10H,1H3,(H,33,36)(H2,29,31,32)
InChIKeyZWRGJZIBZPBZHR-UHFFFAOYSA-N
XLogP4.15
TPSA126.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 166169667
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 63038394
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359614
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
7-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178092968
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330823
7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178092979
6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-7-fluoro-N-[2-fluoro-5-(pentafluoro-λ6-sulfanyl)phenyl]-1-benzofuran-3-carboxamide
CID 178093257
7-[8-amino-3-methyl-5-[(1-methylazetidin-3-ylidene)methyl]imidazo[1,5-a]pyrazin-1-yl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178093275
ethane;N-[2-fluoro-5-(trifluoromethyl)phenyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178092728
7-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178093092
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 178092732) is 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]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-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cn1cc(-c2ccn3c(C(=O)Nc4cc(C(F)(F)F)ccc4F)cnc3c2C#N)c2c(N)ncnc21.
What is the InChIKey of 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZWRGJZIBZPBZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N8O/c1-34-9-14(18-19(29)31-10-32-21(18)34)12-4-5-35-17(8-30-20(35)13(12)7-28)22(36)33-16-6-11(23(25,26)27)2-3-15(16)24/h2-6,8-10H,1H3,(H,33,36)(H2,29,31,32).
What are the key properties of 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 494.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-8-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178092732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).