ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C27H26F2N6O3 — CID 123964821

IUPACethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCN(C(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2
InChIInChI=1S/C27H26F2N6O3/c1-2-38-27(37)23-13-19-16-32(10-11-34(19)31-23)26(36)21-15-30-35-9-7-18(14-25(21)35)33-8-3-4-24(33)20-12-17(28)5-6-22(20)29/h5-7,9,12-15,24H,2-4,8,10-11,16H2,1H3
InChIKeyPXSBBOXIPWLWJO-UHFFFAOYSA-N
MW520.54 g/mol
LogP3.98
Rot. Bonds5

About ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 123964821) has the molecular formula C27H26F2N6O3 and a molecular weight of 520.54 g/mol. Its IUPAC name is ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID123964821
Molecular FormulaC27H26F2N6O3
Molecular Weight520.54 g/mol
Exact Mass520.20
IUPAC Nameethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCN(C(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2
InChIInChI=1S/C27H26F2N6O3/c1-2-38-27(37)23-13-19-16-32(10-11-34(19)31-23)26(36)21-15-30-35-9-7-18(14-25(21)35)33-8-3-4-24(33)20-12-17(28)5-6-22(20)29/h5-7,9,12-15,24H,2-4,8,10-11,16H2,1H3
InChIKeyPXSBBOXIPWLWJO-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 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

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diethyl (S)-1-(4-fluorobenzyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,7-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 123964821) is ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CCN(C(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2.
What is the InChIKey of ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is PXSBBOXIPWLWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O3/c1-2-38-27(37)23-13-19-16-32(10-11-34(19)31-23)26(36)21-15-30-35-9-7-18(14-25(21)35)33-8-3-4-24(33)20-12-17(28)5-6-22(20)29/h5-7,9,12-15,24H,2-4,8,10-11,16H2,1H3.
What are the key properties of ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-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 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 123964821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).