1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol

C25H21F3N4O2 — CID 155110800

IUPAC1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol
SMILESCn1cc(C2=CN(c3ccc(OC(F)(F)F)cc3)C(O)c3c2ccn3Cc2ccccc2)cn1
InChIInChI=1S/C25H21F3N4O2/c1-30-15-18(13-29-30)22-16-32(19-7-9-20(10-8-19)34-25(26,27)28)24(33)23-21(22)11-12-31(23)14-17-5-3-2-4-6-17/h2-13,15-16,24,33H,14H2,1H3
InChIKeyLROBHKSOFQLYBT-UHFFFAOYSA-N
MW466.46 g/mol
LogP5.07
Rot. Bonds5

About 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol

1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol (PubChem CID 155110800) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol.

Molecular Properties

Compound Name1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol
PubChem CID155110800
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC Name1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol
SMILESCn1cc(C2=CN(c3ccc(OC(F)(F)F)cc3)C(O)c3c2ccn3Cc2ccccc2)cn1
InChIInChI=1S/C25H21F3N4O2/c1-30-15-18(13-29-30)22-16-32(19-7-9-20(10-8-19)34-25(26,27)28)24(33)23-21(22)11-12-31(23)14-17-5-3-2-4-6-17/h2-13,15-16,24,33H,14H2,1H3
InChIKeyLROBHKSOFQLYBT-UHFFFAOYSA-N
XLogP5.07
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]ethanol
CID 16192378
(1R)-1-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazolo[3,4-c]pyridin-3-yl]ethane-1,2-diol
CID 54767678
1-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 70752733
(1-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-3-piperidinyl)methanol
CID 70787289
[1-[[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]triazol-4-yl]methanol
CID 145966966
4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1-(4-methoxyphenyl)triazole
CID 132211967
1-(2-Hydroxyethyl)-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridin-7-one
CID 117880303
1-Ethyl-4-[1-(2-hydroxyethyl)pyrazol-4-yl]-6-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-c]pyridin-7-one
CID 117880305
(1-(4-Methoxyphenyl)-3-(3-pyridinyl)-1H-pyrazol-4-YL)methanol
CID 3554291
{5-[3-(pyridin-2-ylmethoxy)benzyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methanol
CID 90650749
1-(1,5-dimethyl-1H-pyrazol-3-yl)-N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 42118166
2-[{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(isopropyl)amino]ethanol
CID 70729171

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol?
The IUPAC name of 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol (CID 155110800) is 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol.
What is the SMILES notation for 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol?
The canonical SMILES for 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol is Cn1cc(C2=CN(c3ccc(OC(F)(F)F)cc3)C(O)c3c2ccn3Cc2ccccc2)cn1.
What is the InChIKey of 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol?
The InChIKey is LROBHKSOFQLYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c1-30-15-18(13-29-30)22-16-32(19-7-9-20(10-8-19)34-25(26,27)28)24(33)23-21(22)11-12-31(23)14-17-5-3-2-4-6-17/h2-13,15-16,24,33H,14H2,1H3.
What are the key properties of 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol?
1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol has a molecular weight of 466.46 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-c]pyridin-7-ol is sourced from PubChem (CID 155110800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).