1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C27H25F3N4O3 — CID 44581591

IUPAC1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N5CCCC5=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C27H25F3N4O3/c1-37-20-10-8-19(9-11-20)34-23-21(24(31-34)27(28,29)30)12-16-32(25(23)36)18-6-4-17(5-7-18)26(13-14-26)33-15-2-3-22(33)35/h4-11H,2-3,12-16H2,1H3
InChIKeyCLVYUBZXTSOEGO-UHFFFAOYSA-N
MW510.52 g/mol
LogP4.71
Rot. Bonds5

About 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 44581591) has the molecular formula C27H25F3N4O3 and a molecular weight of 510.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID44581591
Molecular FormulaC27H25F3N4O3
Molecular Weight510.52 g/mol
Exact Mass510.19
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N5CCCC5=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C27H25F3N4O3/c1-37-20-10-8-19(9-11-20)34-23-21(24(31-34)27(28,29)30)12-16-32(25(23)36)18-6-4-17(5-7-18)26(13-14-26)33-15-2-3-22(33)35/h4-11H,2-3,12-16H2,1H3
InChIKeyCLVYUBZXTSOEGO-UHFFFAOYSA-N
XLogP4.71
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 44581591) is 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N5CCCC5=O)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is CLVYUBZXTSOEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O3/c1-37-20-10-8-19(9-11-20)34-23-21(24(31-34)27(28,29)30)12-16-32(25(23)36)18-6-4-17(5-7-18)26(13-14-26)33-15-2-3-22(33)35/h4-11H,2-3,12-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 510.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[1-(2-oxopyrrolidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 44581591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).