[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone

C18H13Cl2N3OS — CID 53147006

IUPAC[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1
InChIInChI=1S/C18H13Cl2N3OS/c19-13-3-1-11(2-4-13)17-21-9-12-10-23(8-7-14(12)22-17)18(24)15-5-6-16(20)25-15/h1-6,9H,7-8,10H2
InChIKeyWTWGUKBAMCBCCF-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.71
Rot. Bonds2

About [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone

[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone (PubChem CID 53147006) has the molecular formula C18H13Cl2N3OS and a molecular weight of 390.30 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone
PubChem CID53147006
Molecular FormulaC18H13Cl2N3OS
Molecular Weight390.30 g/mol
Exact Mass389.02
IUPAC Name[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1
InChIInChI=1S/C18H13Cl2N3OS/c19-13-3-1-11(2-4-13)17-21-9-12-10-23(8-7-14(12)22-17)18(24)15-5-6-16(20)25-15/h1-6,9H,7-8,10H2
InChIKeyWTWGUKBAMCBCCF-UHFFFAOYSA-N
XLogP4.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
2-chloro-N-[4-(2-thienyl)-2-pyrimidinyl]benzenecarboxamide
CID 3421246
N-(2-(2,4-dichlorophenyl)propyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414320
N-(2-(2,4-dichlorophenyl)butyl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414507

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone (CID 53147006) is [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1.
What is the InChIKey of [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone?
The InChIKey is WTWGUKBAMCBCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3OS/c19-13-3-1-11(2-4-13)17-21-9-12-10-23(8-7-14(12)22-17)18(24)15-5-6-16(20)25-15/h1-6,9H,7-8,10H2.
What are the key properties of [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone?
[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone has a molecular weight of 390.30 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 53147006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).