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

C23H17FN8S — CID 145034180

IUPAC5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine
SMILESCN1CN=C(c2nc3c(-c4ccsc4)nccc3[nH]2)c2c1cnc(-c1cncc(N)c1)c2F
InChIInChI=1S/C23H17FN8S/c1-32-11-29-22(17-16(32)9-28-19(18(17)24)13-6-14(25)8-26-7-13)23-30-15-2-4-27-20(21(15)31-23)12-3-5-33-10-12/h2-10H,11,25H2,1H3,(H,30,31)
InChIKeyQIIQEAYDXSNJHU-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.11
Rot. Bonds3

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

5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine (PubChem CID 145034180) has the molecular formula C23H17FN8S and a molecular weight of 456.51 g/mol. Its IUPAC name is 5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine
PubChem CID145034180
Molecular FormulaC23H17FN8S
Molecular Weight456.51 g/mol
Exact Mass456.13
IUPAC Name5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine
SMILESCN1CN=C(c2nc3c(-c4ccsc4)nccc3[nH]2)c2c1cnc(-c1cncc(N)c1)c2F
InChIInChI=1S/C23H17FN8S/c1-32-11-29-22(17-16(32)9-28-19(18(17)24)13-6-14(25)8-26-7-13)23-30-15-2-4-27-20(21(15)31-23)12-3-5-33-10-12/h2-10H,11,25H2,1H3,(H,30,31)
InChIKeyQIIQEAYDXSNJHU-UHFFFAOYSA-N
XLogP4.11
TPSA108.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine
CID 45275254
12-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546167
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-2-sulfonamide
CID 57344794
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53320547
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 164609501
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 164616904

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine?
The IUPAC name of 5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine (CID 145034180) is 5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine.
What is the SMILES notation for 5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine?
The canonical SMILES for 5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine is CN1CN=C(c2nc3c(-c4ccsc4)nccc3[nH]2)c2c1cnc(-c1cncc(N)c1)c2F.
What is the InChIKey of 5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine?
The InChIKey is QIIQEAYDXSNJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN8S/c1-32-11-29-22(17-16(32)9-28-19(18(17)24)13-6-14(25)8-26-7-13)23-30-15-2-4-27-20(21(15)31-23)12-3-5-33-10-12/h2-10H,11,25H2,1H3,(H,30,31).
What are the key properties of 5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine?
5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine has a molecular weight of 456.51 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-1-methyl-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrido[3,4-d]pyrimidin-6-yl]pyridin-3-amine is sourced from PubChem (CID 145034180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).