4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol

C18H19F3N4O — CID 75203456

IUPAC4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCC(O)CC3)cc2n1
InChIInChI=1S/C18H19F3N4O/c1-25-16(9-17(24-25)18(19,20)21)13-7-6-12-15(23-13)8-14(22-12)10-2-4-11(26)5-3-10/h6-11,22,26H,2-5H2,1H3
InChIKeyLQKGOKRWHMEUTI-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.00
Rot. Bonds2

About 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol

4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol (PubChem CID 75203456) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol
PubChem CID75203456
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCC(O)CC3)cc2n1
InChIInChI=1S/C18H19F3N4O/c1-25-16(9-17(24-25)18(19,20)21)13-7-6-12-15(23-13)8-14(22-12)10-2-4-11(26)5-3-10/h6-11,22,26H,2-5H2,1H3
InChIKeyLQKGOKRWHMEUTI-UHFFFAOYSA-N
XLogP4.00
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol (CID 75203456) is 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol is Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(C3CCC(O)CC3)cc2n1.
What is the InChIKey of 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol?
The InChIKey is LQKGOKRWHMEUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-25-16(9-17(24-25)18(19,20)21)13-7-6-12-15(23-13)8-14(22-12)10-2-4-11(26)5-3-10/h6-11,22,26H,2-5H2,1H3.
What are the key properties of 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol?
4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol has a molecular weight of 364.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 75203456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).