ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

C28H28F2N6O3 — CID 123203041

IUPACethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CC(NC(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)CC2
InChIInChI=1S/C28H28F2N6O3/c1-2-39-28(38)23-16-34-10-7-18(13-26(34)33-23)32-27(37)21-15-31-36-11-8-19(14-25(21)36)35-9-3-4-24(35)20-12-17(29)5-6-22(20)30/h5-6,8,11-12,14-16,18,24H,2-4,7,9-10,13H2,1H3,(H,32,37)
InChIKeyQSGDEYILYSHSGH-UHFFFAOYSA-N
MW534.57 g/mol
LogP4.07
Rot. Bonds6

About ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 123203041) has the molecular formula C28H28F2N6O3 and a molecular weight of 534.57 g/mol. Its IUPAC name is ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID123203041
Molecular FormulaC28H28F2N6O3
Molecular Weight534.57 g/mol
Exact Mass534.22
IUPAC Nameethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CC(NC(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)CC2
InChIInChI=1S/C28H28F2N6O3/c1-2-39-28(38)23-16-34-10-7-18(13-26(34)33-23)32-27(37)21-15-31-36-11-8-19(14-25(21)36)35-9-3-4-24(35)20-12-17(29)5-6-22(20)30/h5-6,8,11-12,14-16,18,24H,2-4,7,9-10,13H2,1H3,(H,32,37)
InChIKeyQSGDEYILYSHSGH-UHFFFAOYSA-N
XLogP4.07
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
4-N-[2-(2-fluoroethoxy)ethyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87382935
N-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283395
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291191
[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56669088
N-[(7S)-2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 165415295
ethyl 6-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate
CID 118710523
ethyl 6-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate
CID 118710524
N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 134151944
7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 162672157
N-(5-(2-(2,6-cis-dimethylpiperidin-1-yl)ethylcarbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283030
2-[3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592256

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (CID 123203041) is ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(n1)CC(NC(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)CC2.
What is the InChIKey of ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is QSGDEYILYSHSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O3/c1-2-39-28(38)23-16-34-10-7-18(13-26(34)33-23)32-27(37)21-15-31-36-11-8-19(14-25(21)36)35-9-3-4-24(35)20-12-17(29)5-6-22(20)30/h5-6,8,11-12,14-16,18,24H,2-4,7,9-10,13H2,1H3,(H,32,37).
What are the key properties of ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 534.57 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 123203041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).