1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide

C26H23F3N4O3 — CID 118137560

IUPAC1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(N)=O)CC4)cc2)CC32CC2)cc1
InChIInChI=1S/C26H23F3N4O3/c1-36-18-8-6-17(7-9-18)33-20-19(21(31-33)26(27,28)29)24(10-11-24)14-32(22(20)34)16-4-2-15(3-5-16)25(12-13-25)23(30)35/h2-9H,10-14H2,1H3,(H2,30,35)
InChIKeyISVGRQIADZWFEG-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.11
Rot. Bonds5

About 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide

1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 118137560) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID118137560
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC Name1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(N)=O)CC4)cc2)CC32CC2)cc1
InChIInChI=1S/C26H23F3N4O3/c1-36-18-8-6-17(7-9-18)33-20-19(21(31-33)26(27,28)29)24(10-11-24)14-32(22(20)34)16-4-2-15(3-5-16)25(12-13-25)23(30)35/h2-9H,10-14H2,1H3,(H2,30,35)
InChIKeyISVGRQIADZWFEG-UHFFFAOYSA-N
XLogP4.11
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-7-one
CID 118137545
1-(4-methoxyphenyl)-6-[4-[1-(pyrrolidine-1-carbonyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 11756558
N-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]-N-methylacetamide
CID 44581559
6-[4-(N'-cyclopentylcarbamimidoyl)phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
CID 118016523
2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]-N,N-dimethylacetamide
CID 59020232
ethyl 6-[4-[1-(azidomethyl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylate
CID 118137573
6-(4-aminophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 23635261
6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid
CID 174866792
1-(4-methoxyphenyl)-6-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 44581592
7-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]azepin-8-one
CID 22086932
N-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]-2-(methylamino)propanamide
CID 90862770
1-(4-methoxyphenyl)-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 44593413

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide (CID 118137560) is 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(N)=O)CC4)cc2)CC32CC2)cc1.
What is the InChIKey of 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is ISVGRQIADZWFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c1-36-18-8-6-17(7-9-18)33-20-19(21(31-33)26(27,28)29)24(10-11-24)14-32(22(20)34)16-4-2-15(3-5-16)25(12-13-25)23(30)35/h2-9H,10-14H2,1H3,(H2,30,35).
What are the key properties of 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide?
1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 4.11, 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)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 118137560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).