3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine

C23H25N5 — CID 90027609

IUPAC3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCN1CCC(n2cc(-c3cnn(Cc4ccccc4)c3)c3cccnc32)CC1
InChIInChI=1S/C23H25N5/c1-26-12-9-20(10-13-26)28-17-22(21-8-5-11-24-23(21)28)19-14-25-27(16-19)15-18-6-3-2-4-7-18/h2-8,11,14,16-17,20H,9-10,12-13,15H2,1H3
InChIKeyRJCAFQMAYSCRMW-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.21
Rot. Bonds4

About 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine

3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 90027609) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID90027609
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCN1CCC(n2cc(-c3cnn(Cc4ccccc4)c3)c3cccnc32)CC1
InChIInChI=1S/C23H25N5/c1-26-12-9-20(10-13-26)28-17-22(21-8-5-11-24-23(21)28)19-14-25-27(16-19)15-18-6-3-2-4-7-18/h2-8,11,14,16-17,20H,9-10,12-13,15H2,1H3
InChIKeyRJCAFQMAYSCRMW-UHFFFAOYSA-N
XLogP4.21
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-benzylpyrazol-4-yl)-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
CID 135355148
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
5-(1-benzylpyrazol-4-yl)-1-methyl-4-methylsulfonylpyridin-2-one
CID 140929105
2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine
CID 91064991
3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 154466763
3-(1-benzylpyrazol-4-yl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine
CID 72943450
2-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)acetic acid
CID 84681720
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-[4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 90031473
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137450388
(3S)-1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-carboxamide
CID 140929068

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine (CID 90027609) is 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine is CN1CCC(n2cc(-c3cnn(Cc4ccccc4)c3)c3cccnc32)CC1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is RJCAFQMAYSCRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-26-12-9-20(10-13-26)28-17-22(21-8-5-11-24-23(21)28)19-14-25-27(16-19)15-18-6-3-2-4-7-18/h2-8,11,14,16-17,20H,9-10,12-13,15H2,1H3.
What are the key properties of 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 371.49 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90027609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).