6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C16H22F3N3O3 — CID 142943913

IUPAC6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOC1CCC(n2nc(C(F)(F)F)c3c2C(=O)N(CCO)CC3)CC1
InChIInChI=1S/C16H22F3N3O3/c1-25-11-4-2-10(3-5-11)22-13-12(14(20-22)16(17,18)19)6-7-21(8-9-23)15(13)24/h10-11,23H,2-9H2,1H3
InChIKeyBGODZWCPAYKDJI-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.02
Rot. Bonds4

About 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 142943913) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID142943913
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Name6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOC1CCC(n2nc(C(F)(F)F)c3c2C(=O)N(CCO)CC3)CC1
InChIInChI=1S/C16H22F3N3O3/c1-25-11-4-2-10(3-5-11)22-13-12(14(20-22)16(17,18)19)6-7-21(8-9-23)15(13)24/h10-11,23H,2-9H2,1H3
InChIKeyBGODZWCPAYKDJI-UHFFFAOYSA-N
XLogP2.02
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 142943913) is 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COC1CCC(n2nc(C(F)(F)F)c3c2C(=O)N(CCO)CC3)CC1.
What is the InChIKey of 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is BGODZWCPAYKDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-25-11-4-2-10(3-5-11)22-13-12(14(20-22)16(17,18)19)6-7-21(8-9-23)15(13)24/h10-11,23H,2-9H2,1H3.
What are the key properties of 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 361.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 142943913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).