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

C29H31F3N4O2 — CID 44581630

IUPAC1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CCN5CCCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C29H31F3N4O2/c1-38-23-10-8-22(9-11-23)36-25-24(26(33-36)29(30,31)32)12-18-35(27(25)37)21-6-4-20(5-7-21)28(13-14-28)15-19-34-16-2-3-17-34/h4-11H,2-3,12-19H2,1H3
InChIKeyCIPQQFWBKZYARZ-UHFFFAOYSA-N
MW524.59 g/mol
LogP5.62
Rot. Bonds7

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

1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 44581630) has the molecular formula C29H31F3N4O2 and a molecular weight of 524.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID44581630
Molecular FormulaC29H31F3N4O2
Molecular Weight524.59 g/mol
Exact Mass524.24
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CCN5CCCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C29H31F3N4O2/c1-38-23-10-8-22(9-11-23)36-25-24(26(33-36)29(30,31)32)12-18-35(27(25)37)21-6-4-20(5-7-21)28(13-14-28)15-19-34-16-2-3-17-34/h4-11H,2-3,12-19H2,1H3
InChIKeyCIPQQFWBKZYARZ-UHFFFAOYSA-N
XLogP5.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.59
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 44581630) is 1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)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-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)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(CCN5CCCC5)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is CIPQQFWBKZYARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N4O2/c1-38-23-10-8-22(9-11-23)36-25-24(26(33-36)29(30,31)32)12-18-35(27(25)37)21-6-4-20(5-7-21)28(13-14-28)15-19-34-16-2-3-17-34/h4-11H,2-3,12-19H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 524.59 g/mol, XLogP of 5.62, 7 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-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 44581630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).