1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide

C24H21F3N4O3 — CID 10073425

IUPAC1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(N)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C24H21F3N4O3/c1-34-17-8-6-16(7-9-17)31-19-18(20(29-31)24(25,26)27)10-13-30(21(19)32)15-4-2-14(3-5-15)23(11-12-23)22(28)33/h2-9H,10-13H2,1H3,(H2,28,33)
InChIKeyUCGYGERONQVOAO-UHFFFAOYSA-N
MW470.45 g/mol
LogP3.62
Rot. Bonds5

About 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide

1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 10073425) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID10073425
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC Name1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(N)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C24H21F3N4O3/c1-34-17-8-6-16(7-9-17)31-19-18(20(29-31)24(25,26)27)10-13-30(21(19)32)15-4-2-14(3-5-15)23(11-12-23)22(28)33/h2-9H,10-13H2,1H3,(H2,28,33)
InChIKeyUCGYGERONQVOAO-UHFFFAOYSA-N
XLogP3.62
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide (CID 10073425) is 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(N)=O)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is UCGYGERONQVOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-34-17-8-6-16(7-9-17)31-19-18(20(29-31)24(25,26)27)10-13-30(21(19)32)15-4-2-14(3-5-15)23(11-12-23)22(28)33/h2-9H,10-13H2,1H3,(H2,28,33).
What are the key properties of 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide?
1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 10073425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).