6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H16BrClN4O — CID 135945196

IUPAC6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CN(Cc1ccc(Br)cn1)CC2
InChIInChI=1S/C19H16BrClN4O/c20-13-3-6-15(22-9-13)10-25-8-7-17-16(11-25)19(26)24-18(23-17)12-1-4-14(21)5-2-12/h1-6,9H,7-8,10-11H2,(H,23,24,26)
InChIKeyOVUNOFVEYGKDNL-UHFFFAOYSA-N
MW431.72 g/mol
LogP3.81
Rot. Bonds3

About 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135945196) has the molecular formula C19H16BrClN4O and a molecular weight of 431.72 g/mol. Its IUPAC name is 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135945196
Molecular FormulaC19H16BrClN4O
Molecular Weight431.72 g/mol
Exact Mass430.02
IUPAC Name6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CN(Cc1ccc(Br)cn1)CC2
InChIInChI=1S/C19H16BrClN4O/c20-13-3-6-15(22-9-13)10-25-8-7-17-16(11-25)19(26)24-18(23-17)12-1-4-14(21)5-2-12/h1-6,9H,7-8,10-11H2,(H,23,24,26)
InChIKeyOVUNOFVEYGKDNL-UHFFFAOYSA-N
XLogP3.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.72
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-bromo-2-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945183
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
2-(4-chlorophenyl)-6-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943038
6-[(5-bromo-2-pyridinyl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945182
6-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943776
2-(4-chlorophenyl)-6-[(3,4-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918282
2-(4-chlorophenyl)-6-[(5-ethylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861588
5-[[2-(4-chlorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate
CID 135860949
2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947709
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943267
2-(4-chlorophenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943058
2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947329

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135945196) is 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CN(Cc1ccc(Br)cn1)CC2.
What is the InChIKey of 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OVUNOFVEYGKDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN4O/c20-13-3-6-15(22-9-13)10-25-8-7-17-16(11-25)19(26)24-18(23-17)12-1-4-14(21)5-2-12/h1-6,9H,7-8,10-11H2,(H,23,24,26).
What are the key properties of 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 431.72 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135945196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).