4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C19H18N4O2 — CID 57477711

IUPAC4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)cc(OC)c1
InChIInChI=1S/C19H18N4O2/c1-24-15-7-13(8-16(9-15)25-2)11-23-12-14(10-22-23)17-3-5-20-19-18(17)4-6-21-19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyBIALYXKEVRSRRM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.49
Rot. Bonds5

About 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 57477711) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID57477711
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)cc(OC)c1
InChIInChI=1S/C19H18N4O2/c1-24-15-7-13(8-16(9-15)25-2)11-23-12-14(10-22-23)17-3-5-20-19-18(17)4-6-21-19/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyBIALYXKEVRSRRM-UHFFFAOYSA-N
XLogP3.49
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-propylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90697312
4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 44625970
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
4-[1-(furan-3-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2,2,2-trifluoroacetic acid
CID 68907279
3-[2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]ethyl]benzonitrile
CID 118481142
4-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2,2,2-trifluoroacetic acid
CID 87618635
[3-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]phenyl]methanol
CID 57480641
4-[1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 44625900
4-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328526
3-(1-benzylpyrazol-4-yl)-N-(2,5-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 72944030
4-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 57480633
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 57477711) is 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is COc1cc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)cc(OC)c1.
What is the InChIKey of 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BIALYXKEVRSRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-24-15-7-13(8-16(9-15)25-2)11-23-12-14(10-22-23)17-3-5-20-19-18(17)4-6-21-19/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 334.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,5-dimethoxyphenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 57477711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).