4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine

C12H9F3N4O — CID 141314942

IUPAC4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1cnc(-n2ccc(C(F)(F)F)n2)c2[nH]ccc12
InChIInChI=1S/C12H9F3N4O/c1-20-8-6-17-11(10-7(8)2-4-16-10)19-5-3-9(18-19)12(13,14)15/h2-6,16H,1H3
InChIKeyKUEMGOKTSBUIQU-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.78
Rot. Bonds2

About 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine

4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine (PubChem CID 141314942) has the molecular formula C12H9F3N4O and a molecular weight of 282.23 g/mol. Its IUPAC name is 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine
PubChem CID141314942
Molecular FormulaC12H9F3N4O
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC Name4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1cnc(-n2ccc(C(F)(F)F)n2)c2[nH]ccc12
InChIInChI=1S/C12H9F3N4O/c1-20-8-6-17-11(10-7(8)2-4-16-10)19-5-3-9(18-19)12(13,14)15/h2-6,16H,1H3
InChIKeyKUEMGOKTSBUIQU-UHFFFAOYSA-N
XLogP2.78
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 77050662
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 54767085
N-(2-methoxyphenyl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548650
2-[1-(difluoromethyl)pyrazol-4-yl]-N-(2-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548653
N-(2-methoxyphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68290919
N-(2-methoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68291375
(6R)-1-[3-methoxy-6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]-1,4-diazepan-6-ol
CID 72714578
1-[3-Methoxy-6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]-1,4-diazepan-6-ol
CID 72714579
US10544143, Example 347
CID 138686642
US10544143, Example 524
CID 138687072
5-(1,4-diazepan-1-ylmethyl)-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44441012
5-[(4-aminopiperidin-1-yl)methyl]-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44441013

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine (CID 141314942) is 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine is COc1cnc(-n2ccc(C(F)(F)F)n2)c2[nH]ccc12.
What is the InChIKey of 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is KUEMGOKTSBUIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O/c1-20-8-6-17-11(10-7(8)2-4-16-10)19-5-3-9(18-19)12(13,14)15/h2-6,16H,1H3.
What are the key properties of 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine?
4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 282.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 141314942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).