6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C24H23F3N6O2S — CID 151011958

IUPAC6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cnc(C2CC(=O)N(c3cnn4c3CN(C(=O)Nc3cc(F)c(F)c(F)c3)C(C3CC3)C4)C2)s1
InChIInChI=1S/C24H23F3N6O2S/c1-12-7-28-23(36-12)14-4-21(34)31(9-14)18-8-29-33-11-19(13-2-3-13)32(10-20(18)33)24(35)30-15-5-16(25)22(27)17(26)6-15/h5-8,13-14,19H,2-4,9-11H2,1H3,(H,30,35)
InChIKeyLWHCJRPWNHXJON-UHFFFAOYSA-N
MW516.55 g/mol
LogP4.41
Rot. Bonds4

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

6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 151011958) has the molecular formula C24H23F3N6O2S and a molecular weight of 516.55 g/mol. Its IUPAC name is 6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID151011958
Molecular FormulaC24H23F3N6O2S
Molecular Weight516.55 g/mol
Exact Mass516.16
IUPAC Name6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1cnc(C2CC(=O)N(c3cnn4c3CN(C(=O)Nc3cc(F)c(F)c(F)c3)C(C3CC3)C4)C2)s1
InChIInChI=1S/C24H23F3N6O2S/c1-12-7-28-23(36-12)14-4-21(34)31(9-14)18-8-29-33-11-19(13-2-3-13)32(10-20(18)33)24(35)30-15-5-16(25)22(27)17(26)6-15/h5-8,13-14,19H,2-4,9-11H2,1H3,(H,30,35)
InChIKeyLWHCJRPWNHXJON-UHFFFAOYSA-N
XLogP4.41
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 54.41
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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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-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-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 151011958) is 6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-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-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-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-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is Cc1cnc(C2CC(=O)N(c3cnn4c3CN(C(=O)Nc3cc(F)c(F)c(F)c3)C(C3CC3)C4)C2)s1.
What is the InChIKey of 6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is LWHCJRPWNHXJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2S/c1-12-7-28-23(36-12)14-4-21(34)31(9-14)18-8-29-33-11-19(13-2-3-13)32(10-20(18)33)24(35)30-15-5-16(25)22(27)17(26)6-15/h5-8,13-14,19H,2-4,9-11H2,1H3,(H,30,35).
What are the key properties of 6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[4-(5-methyl-1,3-thiazol-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 151011958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).