1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine

C15H16N4 — CID 70720903

IUPAC1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cncnc1-c1ccnc2c1ccn2C
InChIInChI=1S/C15H16N4/c1-10(2)13-8-16-9-18-14(13)11-4-6-17-15-12(11)5-7-19(15)3/h4-10H,1-3H3
InChIKeyXPTFWJDTSOICGX-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.15
Rot. Bonds2

About 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine

1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 70720903) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID70720903
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCC(C)c1cncnc1-c1ccnc2c1ccn2C
InChIInChI=1S/C15H16N4/c1-10(2)13-8-16-9-18-14(13)11-4-6-17-15-12(11)5-7-19(15)3/h4-10H,1-3H3
InChIKeyXPTFWJDTSOICGX-UHFFFAOYSA-N
XLogP3.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol
CID 56907537
4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 58195536
1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
CID 169206758
N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridazin-3-amine
CID 70728744
4-(5-propan-2-ylpyrimidin-4-yl)aniline
CID 83886077
5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid
CID 70713119
N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
CID 70721184
2-(5-propan-2-ylpyrimidin-4-yl)-1,3-thiazole
CID 58415693
1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyridine
CID 70718302
ethane;7-methylpyrrolo[2,3-d]pyrimidine
CID 155705341
5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 56913251
6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
CID 56886529

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine (CID 70720903) is 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine is CC(C)c1cncnc1-c1ccnc2c1ccn2C.
What is the InChIKey of 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is XPTFWJDTSOICGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10(2)13-8-16-9-18-14(13)11-4-6-17-15-12(11)5-7-19(15)3/h4-10H,1-3H3.
What are the key properties of 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine?
1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 252.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70720903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).