6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C24H22F3N7O2 — CID 150682748

IUPAC6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C1CC(c2ncccn2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2
InChIInChI=1S/C24H22F3N7O2/c25-16-7-15(8-17(26)22(16)27)31-24(36)33-11-20-18(9-30-34(20)12-19(33)13-2-3-13)32-10-14(6-21(32)35)23-28-4-1-5-29-23/h1,4-5,7-9,13-14,19H,2-3,6,10-12H2,(H,31,36)
InChIKeyJIFIONOKBFXASJ-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.44
Rot. Bonds4

About 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 150682748) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID150682748
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC Name6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C1CC(c2ncccn2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2
InChIInChI=1S/C24H22F3N7O2/c25-16-7-15(8-17(26)22(16)27)31-24(36)33-11-20-18(9-30-34(20)12-19(33)13-2-3-13)32-10-14(6-21(32)35)23-28-4-1-5-29-23/h1,4-5,7-9,13-14,19H,2-3,6,10-12H2,(H,31,36)
InChIKeyJIFIONOKBFXASJ-UHFFFAOYSA-N
XLogP3.44
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-[4-amino-3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 165368930
Imidazo[1,2-a]pyrazin-8(5H)-one, 7-[(3,4-difluorophenyl)methyl]-6,7-dihydro-2-[5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-
CID 129116809
(6S)-7-[(3,4-difluorophenyl)methyl]-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129136448
US10774086, Example 31
CID 134551762
9-(4,4-Difluorocyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 155521367
Pyrazolo[1,5-a]pyrimidine derivative 25
CID 58386283
5-cyclopropyl-N-3-pyridinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1258926
8-[1-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 44236419
8-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 66894703
cyclopropyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 90168895
US10889564, Example 48
CID 129104749
6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 150011955

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 150682748) is 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C1CC(c2ncccn2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2.
What is the InChIKey of 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is JIFIONOKBFXASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c25-16-7-15(8-17(26)22(16)27)31-24(36)33-11-20-18(9-30-34(20)12-19(33)13-2-3-13)32-10-14(6-21(32)35)23-28-4-1-5-29-23/h1,4-5,7-9,13-14,19H,2-3,6,10-12H2,(H,31,36).
What are the key properties of 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(2-oxo-4-pyrimidin-2-ylpyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 150682748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).