3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide

C20H17F3N6O2 — CID 166629959

IUPAC3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide
SMILESN#CC1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)C2(CC2)C3)C1
InChIInChI=1S/C20H17F3N6O2/c21-13-4-12(5-14(22)18(13)23)26-19(31)28-9-16-15(27-8-11(6-24)3-17(27)30)7-25-29(16)10-20(28)1-2-20/h4-5,7,11H,1-3,8-10H2,(H,26,31)
InChIKeyUGSJBLWUJHRBSB-UHFFFAOYSA-N
MW430.39 g/mol
LogP2.76
Rot. Bonds2

About 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide

3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide (PubChem CID 166629959) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide.

Molecular Properties

Compound Name3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide
PubChem CID166629959
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC Name3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide
SMILESN#CC1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)C2(CC2)C3)C1
InChIInChI=1S/C20H17F3N6O2/c21-13-4-12(5-14(22)18(13)23)26-19(31)28-9-16-15(27-8-11(6-24)3-17(27)30)7-25-29(16)10-20(28)1-2-20/h4-5,7,11H,1-3,8-10H2,(H,26,31)
InChIKeyUGSJBLWUJHRBSB-UHFFFAOYSA-N
XLogP2.76
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide?
The IUPAC name of 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide (CID 166629959) is 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide.
What is the SMILES notation for 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide?
The canonical SMILES for 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide is N#CC1CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)C2(CC2)C3)C1.
What is the InChIKey of 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide?
The InChIKey is UGSJBLWUJHRBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c21-13-4-12(5-14(22)18(13)23)26-19(31)28-9-16-15(27-8-11(6-24)3-17(27)30)7-25-29(16)10-20(28)1-2-20/h4-5,7,11H,1-3,8-10H2,(H,26,31).
What are the key properties of 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide?
3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxamide is sourced from PubChem (CID 166629959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).