[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol

C19H22F4N4O — CID 123632127

IUPAC[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol
SMILESOC(c1n[nH]c2c1CCNC2)N1CCC(c2c(F)cccc2C(F)(F)F)CC1
InChIInChI=1S/C19H22F4N4O/c20-14-3-1-2-13(19(21,22)23)16(14)11-5-8-27(9-6-11)18(28)17-12-4-7-24-10-15(12)25-26-17/h1-3,11,18,24,28H,4-10H2,(H,25,26)
InChIKeyMQSHXILSSWISKF-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.08
Rot. Bonds3

About [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol

[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol (PubChem CID 123632127) has the molecular formula C19H22F4N4O and a molecular weight of 398.40 g/mol. Its IUPAC name is [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol.

Molecular Properties

Compound Name[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol
PubChem CID123632127
Molecular FormulaC19H22F4N4O
Molecular Weight398.40 g/mol
Exact Mass398.17
IUPAC Name[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol
SMILESOC(c1n[nH]c2c1CCNC2)N1CCC(c2c(F)cccc2C(F)(F)F)CC1
InChIInChI=1S/C19H22F4N4O/c20-14-3-1-2-13(19(21,22)23)16(14)11-5-8-27(9-6-11)18(28)17-12-4-7-24-10-15(12)25-26-17/h1-3,11,18,24,28H,4-10H2,(H,25,26)
InChIKeyMQSHXILSSWISKF-UHFFFAOYSA-N
XLogP3.08
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 123387571
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CID 124036340
CID 124036340
CID 130312342
CID 130312342
CID 130313125
CID 130313125
CID 130313169
CID 130313169
CID 131966376
CID 131966376
CID 131966409
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CID 134224561
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CID 134224573
CID 134224573

Frequently Asked Questions

What is the IUPAC name of [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol?
The IUPAC name of [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol (CID 123632127) is [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol.
What is the SMILES notation for [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol?
The canonical SMILES for [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol is OC(c1n[nH]c2c1CCNC2)N1CCC(c2c(F)cccc2C(F)(F)F)CC1.
What is the InChIKey of [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol?
The InChIKey is MQSHXILSSWISKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N4O/c20-14-3-1-2-13(19(21,22)23)16(14)11-5-8-27(9-6-11)18(28)17-12-4-7-24-10-15(12)25-26-17/h1-3,11,18,24,28H,4-10H2,(H,25,26).
What are the key properties of [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol?
[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol has a molecular weight of 398.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanol is sourced from PubChem (CID 123632127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).