N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine

C20H20N8 — CID 142537405

IUPACN-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine
SMILESc1cc(Nc2ccc(-c3ccnc4nc[nH]c34)cc2)nc(N2CCNCC2)n1
InChIInChI=1S/C20H20N8/c1-3-15(4-2-14(1)16-5-7-22-19-18(16)24-13-25-19)26-17-6-8-23-20(27-17)28-11-9-21-10-12-28/h1-8,13,21H,9-12H2,(H,22,24,25)(H,23,26,27)
InChIKeyXXDSHUVERQTPEE-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.57
Rot. Bonds4

About N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine

N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine (PubChem CID 142537405) has the molecular formula C20H20N8 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine
PubChem CID142537405
Molecular FormulaC20H20N8
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine
SMILESc1cc(Nc2ccc(-c3ccnc4nc[nH]c34)cc2)nc(N2CCNCC2)n1
InChIInChI=1S/C20H20N8/c1-3-15(4-2-14(1)16-5-7-22-19-18(16)24-13-25-19)26-17-6-8-23-20(27-17)28-11-9-21-10-12-28/h1-8,13,21H,9-12H2,(H,22,24,25)(H,23,26,27)
InChIKeyXXDSHUVERQTPEE-UHFFFAOYSA-N
XLogP2.57
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-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

2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine
CID 175927659
5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one
CID 148878335
4-pentyl-N-[4-[(2-piperazin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 162659384
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
3-piperazin-1-yl-7H-imidazo[4,5-e][1,2,4]triazine
CID 175388860
[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134796845
3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 87466229
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 112898411
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine (CID 142537405) is N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine is c1cc(Nc2ccc(-c3ccnc4nc[nH]c34)cc2)nc(N2CCNCC2)n1.
What is the InChIKey of N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is XXDSHUVERQTPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8/c1-3-15(4-2-14(1)16-5-7-22-19-18(16)24-13-25-19)26-17-6-8-23-20(27-17)28-11-9-21-10-12-28/h1-8,13,21H,9-12H2,(H,22,24,25)(H,23,26,27).
What are the key properties of N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine?
N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 372.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 142537405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).