ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate

C27H29F3N4O3 — CID 123598130

IUPACethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)c(F)c23)CC1
InChIInChI=1S/C27H29F3N4O3/c1-2-37-27(36)16-5-8-18(9-6-16)32-26(35)20-15-31-34-13-11-23(24(30)25(20)34)33-12-3-4-22(33)19-14-17(28)7-10-21(19)29/h7,10-11,13-16,18,22H,2-6,8-9,12H2,1H3,(H,32,35)
InChIKeyZEGLOZLEAGCDOC-UHFFFAOYSA-N
MW514.55 g/mol
LogP4.94
Rot. Bonds6

About ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate

ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 123598130) has the molecular formula C27H29F3N4O3 and a molecular weight of 514.55 g/mol. Its IUPAC name is ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID123598130
Molecular FormulaC27H29F3N4O3
Molecular Weight514.55 g/mol
Exact Mass514.22
IUPAC Nameethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)c(F)c23)CC1
InChIInChI=1S/C27H29F3N4O3/c1-2-37-27(36)16-5-8-18(9-6-16)32-26(35)20-15-31-34-13-11-23(24(30)25(20)34)33-12-3-4-22(33)19-14-17(28)7-10-21(19)29/h7,10-11,13-16,18,22H,2-6,8-9,12H2,1H3,(H,32,35)
InChIKeyZEGLOZLEAGCDOC-UHFFFAOYSA-N
XLogP4.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.55
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-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

Ethyl 4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 5309075
Methyl 6-({[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]amino}carbonyl)nicotinate
CID 24792048
US10889564, Example 9
CID 24794002
2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188590
4,6-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]indole-3-carboxamide
CID 134817226
4,6-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 145982741
4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146487799
(R)-4-(2-oxaspiro[3.5] nonan-7-ylamino)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methyl-butyl)nicotinamide
CID 138703372
4-(((1r,4R)-4-(1,3,4-oxadiazol-2-yl)cyclohexyl) amino)-6-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl) nicotinamide
CID 138704861
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 146423245
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-(((1r,4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl)amino)nicotinamide
CID 146435497
ethyl 4-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]carbonyl}amino)benzoate
CID 1287871

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate (CID 123598130) is ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)c(F)c23)CC1.
What is the InChIKey of ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is ZEGLOZLEAGCDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O3/c1-2-37-27(36)16-5-8-18(9-6-16)32-26(35)20-15-31-34-13-11-23(24(30)25(20)34)33-12-3-4-22(33)19-14-17(28)7-10-21(19)29/h7,10-11,13-16,18,22H,2-6,8-9,12H2,1H3,(H,32,35).
What are the key properties of ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate?
ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 514.55 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 123598130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).