3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide

C19H16ClN5OS — CID 138546319

IUPAC3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide
SMILESCc1ncc2c(n1)CC(c1sc(-c3cccc(C(N)=O)c3)cc1Cl)N=C2N
InChIInChI=1S/C19H16ClN5OS/c1-9-23-8-12-14(24-9)7-15(25-18(12)21)17-13(20)6-16(27-17)10-3-2-4-11(5-10)19(22)26/h2-6,8,15H,7H2,1H3,(H2,21,25)(H2,22,26)
InChIKeyPESIGDAUKGBSLE-UHFFFAOYSA-N
MW397.89 g/mol
LogP3.27
Rot. Bonds3

About 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide

3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide (PubChem CID 138546319) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide.

Molecular Properties

Compound Name3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide
PubChem CID138546319
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide
SMILESCc1ncc2c(n1)CC(c1sc(-c3cccc(C(N)=O)c3)cc1Cl)N=C2N
InChIInChI=1S/C19H16ClN5OS/c1-9-23-8-12-14(24-9)7-15(25-18(12)21)17-13(20)6-16(27-17)10-3-2-4-11(5-10)19(22)26/h2-6,8,15H,7H2,1H3,(H2,21,25)(H2,22,26)
InChIKeyPESIGDAUKGBSLE-UHFFFAOYSA-N
XLogP3.27
TPSA107.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide 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-((1S)-2-Amino-1-(2,4-dichlorobenzyl)ethyl)-5-(2-(methylamino)pyrimidin-4-YL)thiophene-2-carboxamide
CID 16043304
PfGSK3/PfPK6-IN-2
CID 165437253
N-(2,4-dichlorophenethyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 11502369
N-(2,4-dichlorophenethyl)-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 11567357
2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-pyrimidin-5-ylmethyl-1-thiophen-2-ylmethyl-1H-pyrimidin-4-one
CID 18470244
5-(2-Amino-pyrimidin-4-yl)-2-phenyl-thiophene-3-carboxamide
CID 24809936
N-((R)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414422
N-((S)-1-(2,4-dichlorophenyl)-3-(dimethylamino)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414447
N-((S)-4-amino-1-(2,4-dichlorophenyl)butan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414470
N-((R)-1-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414530
N-(1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414579
1-(3-(5-(2-(2,2,6,6-Tetramethylpiperidin-4-ylamino)pyrimidin-4-yl)thiophen-2-yl)phenyl)ethanone
CID 53319861

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide?
The IUPAC name of 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide (CID 138546319) is 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide.
What is the SMILES notation for 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide?
The canonical SMILES for 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide is Cc1ncc2c(n1)CC(c1sc(-c3cccc(C(N)=O)c3)cc1Cl)N=C2N.
What is the InChIKey of 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide?
The InChIKey is PESIGDAUKGBSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-9-23-8-12-14(24-9)7-15(25-18(12)21)17-13(20)6-16(27-17)10-3-2-4-11(5-10)19(22)26/h2-6,8,15H,7H2,1H3,(H2,21,25)(H2,22,26).
What are the key properties of 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide?
3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide has a molecular weight of 397.89 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-amino-2-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-7-yl)-4-chlorothiophen-2-yl]benzamide is sourced from PubChem (CID 138546319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).