4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

C33H38F3N7O5 — CID 58630109

IUPAC4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(CC(=O)NC(C)C)CC2)c1
InChIInChI=1S/C33H38F3N7O5/c1-20(2)37-27(44)19-40-14-16-41(17-15-40)31(46)25-18-23(48-5)10-11-26(25)43-28-24(29(38-43)33(34,35)36)12-13-42(32(28)47)22-8-6-21(7-9-22)30(45)39(3)4/h6-11,18,20H,12-17,19H2,1-5H3,(H,37,44)
InChIKeyGYZMLQQWYSFPOP-UHFFFAOYSA-N
MW669.71 g/mol
LogP3.09
Rot. Bonds8

About 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 58630109) has the molecular formula C33H38F3N7O5 and a molecular weight of 669.71 g/mol. Its IUPAC name is 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
PubChem CID58630109
Molecular FormulaC33H38F3N7O5
Molecular Weight669.71 g/mol
Exact Mass669.29
IUPAC Name4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(CC(=O)NC(C)C)CC2)c1
InChIInChI=1S/C33H38F3N7O5/c1-20(2)37-27(44)19-40-14-16-41(17-15-40)31(46)25-18-23(48-5)10-11-26(25)43-28-24(29(38-43)33(34,35)36)12-13-42(32(28)47)22-8-6-21(7-9-22)30(45)39(3)4/h6-11,18,20H,12-17,19H2,1-5H3,(H,37,44)
InChIKeyGYZMLQQWYSFPOP-UHFFFAOYSA-N
XLogP3.09
TPSA120.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (CID 58630109) is 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(CC(=O)NC(C)C)CC2)c1.
What is the InChIKey of 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?
The InChIKey is GYZMLQQWYSFPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F3N7O5/c1-20(2)37-27(44)19-40-14-16-41(17-15-40)31(46)25-18-23(48-5)10-11-26(25)43-28-24(29(38-43)33(34,35)36)12-13-42(32(28)47)22-8-6-21(7-9-22)30(45)39(3)4/h6-11,18,20H,12-17,19H2,1-5H3,(H,37,44).
What are the key properties of 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?
4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 669.71 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-methoxy-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 58630109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).