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

C27H26F2N6O3 — CID 118952364

IUPAC7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2n1CCN(C(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2
InChIInChI=1S/C27H26F2N6O3/c1-2-21-25(27(37)38)31-24-15-32(10-11-34(21)24)26(36)19-14-30-35-9-7-17(13-23(19)35)33-8-3-4-22(33)18-12-16(28)5-6-20(18)29/h5-7,9,12-14,22H,2-4,8,10-11,15H2,1H3,(H,37,38)
InChIKeyLQXWLJGMWLITQH-UHFFFAOYSA-N
MW520.54 g/mol
LogP4.07
Rot. Bonds5

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

7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 118952364) has the molecular formula C27H26F2N6O3 and a molecular weight of 520.54 g/mol. Its IUPAC name is 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID118952364
Molecular FormulaC27H26F2N6O3
Molecular Weight520.54 g/mol
Exact Mass520.20
IUPAC Name7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESCCc1c(C(=O)O)nc2n1CCN(C(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2
InChIInChI=1S/C27H26F2N6O3/c1-2-21-25(27(37)38)31-24-15-32(10-11-34(21)24)26(36)19-14-30-35-9-7-17(13-23(19)35)33-8-3-4-22(33)18-12-16(28)5-6-20(18)29/h5-7,9,12-14,22H,2-4,8,10-11,15H2,1H3,(H,37,38)
InChIKeyLQXWLJGMWLITQH-UHFFFAOYSA-N
XLogP4.07
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 118952364) is 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid is CCc1c(C(=O)O)nc2n1CCN(C(=O)c1cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc13)C2.
What is the InChIKey of 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is LQXWLJGMWLITQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O3/c1-2-21-25(27(37)38)31-24-15-32(10-11-34(21)24)26(36)19-14-30-35-9-7-17(13-23(19)35)33-8-3-4-22(33)18-12-16(28)5-6-20(18)29/h5-7,9,12-14,22H,2-4,8,10-11,15H2,1H3,(H,37,38).
What are the key properties of 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid?
7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 520.54 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]-3-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 118952364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).