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

C26H22F3N5O2 — CID 10345579

IUPAC6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(c5ncc[nH]5)CC4)cc2)CC3)cc1
InChIInChI=1S/C26H22F3N5O2/c1-36-19-8-6-18(7-9-19)34-21-20(22(32-34)26(27,28)29)10-15-33(23(21)35)17-4-2-16(3-5-17)25(11-12-25)24-30-13-14-31-24/h2-9,13-14H,10-12,15H2,1H3,(H,30,31)
InChIKeyUOQDNQKPHRFEMD-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.91
Rot. Bonds5

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

6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 10345579) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID10345579
Molecular FormulaC26H22F3N5O2
Molecular Weight493.49 g/mol
Exact Mass493.17
IUPAC Name6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(c5ncc[nH]5)CC4)cc2)CC3)cc1
InChIInChI=1S/C26H22F3N5O2/c1-36-19-8-6-18(7-9-19)34-21-20(22(32-34)26(27,28)29)10-15-33(23(21)35)17-4-2-16(3-5-17)25(11-12-25)24-30-13-14-31-24/h2-9,13-14H,10-12,15H2,1H3,(H,30,31)
InChIKeyUOQDNQKPHRFEMD-UHFFFAOYSA-N
XLogP4.91
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 10345579) is 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(c5ncc[nH]5)CC4)cc2)CC3)cc1.
What is the InChIKey of 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is UOQDNQKPHRFEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c1-36-19-8-6-18(7-9-19)34-21-20(22(32-34)26(27,28)29)10-15-33(23(21)35)17-4-2-16(3-5-17)25(11-12-25)24-30-13-14-31-24/h2-9,13-14H,10-12,15H2,1H3,(H,30,31).
What are the key properties of 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 493.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 10345579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).