4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C19H17FN4O — CID 44625900

IUPAC4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(C(C)n2cc(-c3ccnc4[nH]ccc34)cn2)cc1F
InChIInChI=1S/C19H17FN4O/c1-12(13-3-4-18(25-2)17(20)9-13)24-11-14(10-23-24)15-5-7-21-19-16(15)6-8-22-19/h3-12H,1-2H3,(H,21,22)
InChIKeyAZINIKIRVOBDRS-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.18
Rot. Bonds4

About 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 44625900) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID44625900
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(C(C)n2cc(-c3ccnc4[nH]ccc34)cn2)cc1F
InChIInChI=1S/C19H17FN4O/c1-12(13-3-4-18(25-2)17(20)9-13)24-11-14(10-23-24)15-5-7-21-19-16(15)6-8-22-19/h3-12H,1-2H3,(H,21,22)
InChIKeyAZINIKIRVOBDRS-UHFFFAOYSA-N
XLogP4.18
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 57480633
methane;(3S)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]butanenitrile;(3R)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]butanenitrile;bis(2,2,2-trifluoroacetaldehyde)
CID 158890555
4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 57477711
4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90697312
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 154119487
3-(1-benzofuran-2-yl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]propanenitrile
CID 44625971
5-[2-cyano-1-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]ethyl]pyridine-3-carbonitrile;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159614550
2-[1-propan-2-ylsulfanyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 145324828
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 44625900) is 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is COc1ccc(C(C)n2cc(-c3ccnc4[nH]ccc34)cn2)cc1F.
What is the InChIKey of 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AZINIKIRVOBDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12(13-3-4-18(25-2)17(20)9-13)24-11-14(10-23-24)15-5-7-21-19-16(15)6-8-22-19/h3-12H,1-2H3,(H,21,22).
What are the key properties of 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 336.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 44625900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).