N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C21H21N5O — CID 139340983

IUPACN-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1ccc(-c2ncc(C(C)C)c(Nc3ccnc4[nH]ccc34)n2)cc1
InChIInChI=1S/C21H21N5O/c1-13(2)17-12-24-19(14-4-6-15(27-3)7-5-14)26-21(17)25-18-9-11-23-20-16(18)8-10-22-20/h4-13H,1-3H3,(H2,22,23,24,25,26)
InChIKeyPQKYSZUMUQSQPG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.90
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 139340983) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID139340983
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1ccc(-c2ncc(C(C)C)c(Nc3ccnc4[nH]ccc34)n2)cc1
InChIInChI=1S/C21H21N5O/c1-13(2)17-12-24-19(14-4-6-15(27-3)7-5-14)26-21(17)25-18-9-11-23-20-16(18)8-10-22-20/h4-13H,1-3H3,(H2,22,23,24,25,26)
InChIKeyPQKYSZUMUQSQPG-UHFFFAOYSA-N
XLogP4.90
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pki-166
CID 6918403
Lx-7101
CID 56962369
Plx-5622
CID 52936034
4-((2-((4-Cyanophenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CID 57693582
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
6-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
CID 11524200
Meriolin 3
CID 23727981
Meriolin 5
CID 23727982
(S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperazine-1-carboxamido)phenyl dimethylcarbamate
CID 44543080
2,4-Disubstituted Pyrimidine 2f
CID 5329419
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 139340983) is N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is COc1ccc(-c2ncc(C(C)C)c(Nc3ccnc4[nH]ccc34)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is PQKYSZUMUQSQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13(2)17-12-24-19(14-4-6-15(27-3)7-5-14)26-21(17)25-18-9-11-23-20-16(18)8-10-22-20/h4-13H,1-3H3,(H2,22,23,24,25,26).
What are the key properties of N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-propan-2-ylpyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 139340983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).