N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine

C26H24N8S — CID 145038705

IUPACN-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cnc3c(c2)C(c2nc4c(-c5cccs5)nccc4[nH]2)=NCN3C)c1
InChIInChI=1S/C26H24N8S/c1-3-27-11-16-9-17(13-28-12-16)18-10-19-22(31-15-34(2)26(19)30-14-18)25-32-20-6-7-29-24(23(20)33-25)21-5-4-8-35-21/h4-10,12-14,27H,3,11,15H2,1-2H3,(H,32,33)
InChIKeyJAPOXPAFSGPNHT-UHFFFAOYSA-N
MW480.60 g/mol
LogP4.50
Rot. Bonds6

About N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine

N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 145038705) has the molecular formula C26H24N8S and a molecular weight of 480.60 g/mol. Its IUPAC name is N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine
PubChem CID145038705
Molecular FormulaC26H24N8S
Molecular Weight480.60 g/mol
Exact Mass480.18
IUPAC NameN-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cnc3c(c2)C(c2nc4c(-c5cccs5)nccc4[nH]2)=NCN3C)c1
InChIInChI=1S/C26H24N8S/c1-3-27-11-16-9-17(13-28-12-16)18-10-19-22(31-15-34(2)26(19)30-14-18)25-32-20-6-7-29-24(23(20)33-25)21-5-4-8-35-21/h4-10,12-14,27H,3,11,15H2,1-2H3,(H,32,33)
InChIKeyJAPOXPAFSGPNHT-UHFFFAOYSA-N
XLogP4.50
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine 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

N-[[5-[4-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1-methyl-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine
CID 145038797
N-[[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137038678
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137038689
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136938407
N-[[5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137056174
N-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137019408
5-[5-(3-pyrrolidin-1-ylpropyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1,7-dihydropyrazolo[3,4-d]azepine
CID 145033729
5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137312330
N-[[5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134536
1-[5-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136944167
N-[[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136936605
2-phenyl-N-[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137019594

Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine (CID 145038705) is N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2cnc3c(c2)C(c2nc4c(-c5cccs5)nccc4[nH]2)=NCN3C)c1.
What is the InChIKey of N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is JAPOXPAFSGPNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8S/c1-3-27-11-16-9-17(13-28-12-16)18-10-19-22(31-15-34(2)26(19)30-14-18)25-32-20-6-7-29-24(23(20)33-25)21-5-4-8-35-21/h4-10,12-14,27H,3,11,15H2,1-2H3,(H,32,33).
What are the key properties of N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine?
N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 480.60 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-methyl-4-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 145038705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).