N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide

C25H18F3N5O3 — CID 44517829

IUPACN,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCN(C)C(=O)c1ccn2cc(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1
InChIInChI=1S/C25H18F3N5O3/c1-31(2)24(35)13-3-5-32-11-15(30-20(32)7-13)12-33-6-4-16-17(10-29-22(16)25(33)36)23(34)21-18(27)8-14(26)9-19(21)28/h3-11,29H,12H2,1-2H3
InChIKeyFAPLTLUNTXPDDT-UHFFFAOYSA-N
MW493.45 g/mol
LogP3.38
Rot. Bonds5

About N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide

N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 44517829) has the molecular formula C25H18F3N5O3 and a molecular weight of 493.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID44517829
Molecular FormulaC25H18F3N5O3
Molecular Weight493.45 g/mol
Exact Mass493.14
IUPAC NameN,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCN(C)C(=O)c1ccn2cc(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1
InChIInChI=1S/C25H18F3N5O3/c1-31(2)24(35)13-3-5-32-11-15(30-20(32)7-13)12-33-6-4-16-17(10-29-22(16)25(33)36)23(34)21-18(27)8-14(26)9-19(21)28/h3-11,29H,12H2,1-2H3
InChIKeyFAPLTLUNTXPDDT-UHFFFAOYSA-N
XLogP3.38
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 44517829) is N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide is CN(C)C(=O)c1ccn2cc(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1.
What is the InChIKey of N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is FAPLTLUNTXPDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O3/c1-31(2)24(35)13-3-5-32-11-15(30-20(32)7-13)12-33-6-4-16-17(10-29-22(16)25(33)36)23(34)21-18(27)8-14(26)9-19(21)28/h3-11,29H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide?
N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 493.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 44517829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).