1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

C13H14N4 — CID 171635530

IUPAC1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCc1ccnc2c1cc(-c1cnn(C)c1)n2C
InChIInChI=1S/C13H14N4/c1-9-4-5-14-13-11(9)6-12(17(13)3)10-7-15-16(2)8-10/h4-8H,1-3H3
InChIKeyYBLLAANXARURDW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.28
Rot. Bonds1

About 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 171635530) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID171635530
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCc1ccnc2c1cc(-c1cnn(C)c1)n2C
InChIInChI=1S/C13H14N4/c1-9-4-5-14-13-11(9)6-12(17(13)3)10-7-15-16(2)8-10/h4-8H,1-3H3
InChIKeyYBLLAANXARURDW-UHFFFAOYSA-N
XLogP2.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline
CID 139382641
4,6-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine
CID 90402691
[2-(1-methylpyrazol-4-yl)-4-pyridinyl]hydrazine
CID 102825252
4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 164572804
2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 123273621
1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine
CID 90468214
ethane;6-ethyl-8-methyl-3-(1-methylpyrazol-4-yl)isoquinoline
CID 145409460
benzene;cyclobutyl-[4-[2-(1-methylpyrazol-4-yl)-1-methylsulfinylpyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 142563288
cyclopentane;3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143439835
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 141415020
4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
CID 67397716

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 171635530) is 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is Cc1ccnc2c1cc(-c1cnn(C)c1)n2C.
What is the InChIKey of 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is YBLLAANXARURDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9-4-5-14-13-11(9)6-12(17(13)3)10-7-15-16(2)8-10/h4-8H,1-3H3.
What are the key properties of 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 226.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 171635530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).