ethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate

C27H26F2N6O3 — CID 78127846

IUPACethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CN(C(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)CC2
InChIInChI=1S/C27H26F2N6O3/c1-2-38-27(37)22-15-32-10-11-33(16-25(32)31-22)26(36)20-14-30-35-9-7-18(13-24(20)35)34-8-3-4-23(34)19-12-17(28)5-6-21(19)29/h5-7,9,12-15,23H,2-4,8,10-11,16H2,1H3
InChIKeyCHUAYBBBGRUFER-UHFFFAOYSA-N
MW520.54 g/mol
LogP3.98
Rot. Bonds5

About ethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate

ethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 78127846) has the molecular formula C27H26F2N6O3 and a molecular weight of 520.54 g/mol. Its IUPAC name is ethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID78127846
Molecular FormulaC27H26F2N6O3
Molecular Weight520.54 g/mol
Exact Mass520.20
IUPAC Nameethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CN(C(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)CC2
InChIInChI=1S/C27H26F2N6O3/c1-2-38-27(37)22-15-32-10-11-33(16-25(32)31-22)26(36)20-14-30-35-9-7-18(13-24(20)35)34-8-3-4-23(34)19-12-17(28)5-6-21(19)29/h5-7,9,12-15,23H,2-4,8,10-11,16H2,1H3
InChIKeyCHUAYBBBGRUFER-UHFFFAOYSA-N
XLogP3.98
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
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
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
N-[(7R)-2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 165414986
US9718828, Example, 312
CID 71222806
Ethyl 8-[[4-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)thiophene-2-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 122604085
US10214537, Example 86
CID 130363064
US10214537, Example 87
CID 130363506
US10214537, Example 54
CID 132209991
(S)-4-(3-(1-acryloylpyrrolidin-2-yl)-5-ethoxyimidazo [1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 139474792
US11597728, Example 337
CID 146479607
US11597728, Example 229
CID 146479663

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]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (CID 78127846) is ethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-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]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2c(n1)CN(C(=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]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is CHUAYBBBGRUFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O3/c1-2-38-27(37)22-15-32-10-11-33(16-25(32)31-22)26(36)20-14-30-35-9-7-18(13-24(20)35)34-8-3-4-23(34)19-12-17(28)5-6-21(19)29/h5-7,9,12-15,23H,2-4,8,10-11,16H2,1H3.
What are the key properties of ethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 520.54 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 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]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 78127846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).