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

C26H27F3N4O2 — CID 44581593

IUPAC1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCNCCC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C26H27F3N4O2/c1-30-15-14-25(12-13-25)17-3-5-18(6-4-17)32-16-11-21-22(24(32)34)33(31-23(21)26(27,28)29)19-7-9-20(35-2)10-8-19/h3-10,30H,11-16H2,1-2H3
InChIKeyPGRKNLGVRDQKBD-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.74
Rot. Bonds7

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

1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 44581593) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID44581593
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCNCCC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C26H27F3N4O2/c1-30-15-14-25(12-13-25)17-3-5-18(6-4-17)32-16-11-21-22(24(32)34)33(31-23(21)26(27,28)29)19-7-9-20(35-2)10-8-19/h3-10,30H,11-16H2,1-2H3
InChIKeyPGRKNLGVRDQKBD-UHFFFAOYSA-N
XLogP4.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Apixaban
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1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 44581593) is 1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]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-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is CNCCC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is PGRKNLGVRDQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-30-15-14-25(12-13-25)17-3-5-18(6-4-17)32-16-11-21-22(24(32)34)33(31-23(21)26(27,28)29)19-7-9-20(35-2)10-8-19/h3-10,30H,11-16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 484.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[1-[2-(methylamino)ethyl]cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 44581593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).