1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C19H18F3N3O — CID 70760147

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C19H18F3N3O/c20-19(21,22)15-3-1-2-14(12-15)18(26)7-10-25(11-8-18)16-5-4-13-6-9-23-17(13)24-16/h1-6,9,12,26H,7-8,10-11H2,(H,23,24)
InChIKeyAGCKFMKTVJMWMB-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.07
Rot. Bonds2

About 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 70760147) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID70760147
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(c2ccc3cc[nH]c3n2)CC1
InChIInChI=1S/C19H18F3N3O/c20-19(21,22)15-3-1-2-14(12-15)18(26)7-10-25(11-8-18)16-5-4-13-6-9-23-17(13)24-16/h1-6,9,12,26H,7-8,10-11H2,(H,23,24)
InChIKeyAGCKFMKTVJMWMB-UHFFFAOYSA-N
XLogP4.07
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 145986466
3-(4-Chlorophenyl)-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 44591086
1-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 664724
4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
CID 11953235
[3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 25068614
1-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexan-1-ol
CID 44142365
[3-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]methanol
CID 44600650
4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 72792825
(1H-Pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 43156197
1-(5H-pyrimido[5,4-b]indol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 658534
1-(3-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexan-1-ol
CID 44142364

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 70760147) is 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(c2ccc3cc[nH]c3n2)CC1.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is AGCKFMKTVJMWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c20-19(21,22)15-3-1-2-14(12-15)18(26)7-10-25(11-8-18)16-5-4-13-6-9-23-17(13)24-16/h1-6,9,12,26H,7-8,10-11H2,(H,23,24).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 361.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-6-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 70760147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).