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

C29H31F3N4O3 — CID 44581631

IUPAC1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-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(CCN5CCOCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C29H31F3N4O3/c1-38-23-8-6-22(7-9-23)36-25-24(26(33-36)29(30,31)32)10-14-35(27(25)37)21-4-2-20(3-5-21)28(11-12-28)13-15-34-16-18-39-19-17-34/h2-9H,10-19H2,1H3
InChIKeyXKJOPHHXVLKFOE-UHFFFAOYSA-N
MW540.59 g/mol
LogP4.86
Rot. Bonds7

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

1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 44581631) has the molecular formula C29H31F3N4O3 and a molecular weight of 540.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID44581631
Molecular FormulaC29H31F3N4O3
Molecular Weight540.59 g/mol
Exact Mass540.23
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-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(CCN5CCOCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C29H31F3N4O3/c1-38-23-8-6-22(7-9-23)36-25-24(26(33-36)29(30,31)32)10-14-35(27(25)37)21-4-2-20(3-5-21)28(11-12-28)13-15-34-16-18-39-19-17-34/h2-9H,10-19H2,1H3
InChIKeyXKJOPHHXVLKFOE-UHFFFAOYSA-N
XLogP4.86
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.59
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-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-morpholin-4-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 44581631) is 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-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-morpholin-4-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-morpholin-4-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(CCN5CCOCC5)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is XKJOPHHXVLKFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N4O3/c1-38-23-8-6-22(7-9-23)36-25-24(26(33-36)29(30,31)32)10-14-35(27(25)37)21-4-2-20(3-5-21)28(11-12-28)13-15-34-16-18-39-19-17-34/h2-9H,10-19H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 540.59 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[1-(2-morpholin-4-ylethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 44581631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).