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

C18H19F3N4O — CID 75203329

IUPAC1-[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(C3(O)CCCCC3)cc2n1
InChIInChI=1S/C18H19F3N4O/c1-25-14(10-16(24-25)18(19,20)21)12-6-5-11-13(22-12)9-15(23-11)17(26)7-3-2-4-8-17/h5-6,9-10,23,26H,2-4,7-8H2,1H3
InChIKeyAQZXJFHAGBQKAH-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.13
Rot. Bonds2

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

1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol (PubChem CID 75203329) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol
PubChem CID75203329
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name1-[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(C3(O)CCCCC3)cc2n1
InChIInChI=1S/C18H19F3N4O/c1-25-14(10-16(24-25)18(19,20)21)12-6-5-11-13(22-12)9-15(23-11)17(26)7-3-2-4-8-17/h5-6,9-10,23,26H,2-4,7-8H2,1H3
InChIKeyAQZXJFHAGBQKAH-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 156471786
CID 156471786
CID 11494197
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CID 24959091
CID 24959091
CID 24959092
CID 24959092
CID 24960918
CID 24960918
CID 75203456
CID 75203456
CID 75203578
CID 75203578
CID 75203696
CID 75203696
CID 151648489
CID 151648489
CID 152205538
CID 152205538
CID 156471813
CID 156471813
CID 156781790
CID 156781790

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol (CID 75203329) is 1-[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 1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[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(C3(O)CCCCC3)cc2n1.
What is the InChIKey of 1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol?
The InChIKey is AQZXJFHAGBQKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-25-14(10-16(24-25)18(19,20)21)12-6-5-11-13(22-12)9-15(23-11)17(26)7-3-2-4-8-17/h5-6,9-10,23,26H,2-4,7-8H2,1H3.
What are the key properties of 1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol?
1-[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 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[3,2-b]pyridin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 75203329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).