(5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C20H19ClN6O — CID 56873381

IUPAC(5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)c1ccc(Cl)cn1)C2
InChIInChI=1S/C20H19ClN6O/c1-26(2)19-14-8-10-27(20(28)16-7-6-13(21)11-23-16)12-17(14)24-18(25-19)15-5-3-4-9-22-15/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyAJTWFTQLPIZAAZ-UHFFFAOYSA-N
MW394.87 g/mol
LogP2.85
Rot. Bonds3

About (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

(5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56873381) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56873381
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name(5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)c1ccc(Cl)cn1)C2
InChIInChI=1S/C20H19ClN6O/c1-26(2)19-14-8-10-27(20(28)16-7-6-13(21)11-23-16)12-17(14)24-18(25-19)15-5-3-4-9-22-15/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyAJTWFTQLPIZAAZ-UHFFFAOYSA-N
XLogP2.85
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone with MolForge

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Related Compounds

[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 56864475
[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone
CID 56876767
1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
CID 56875975
(2S)-1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-pyrazol-1-ylpropan-1-one
CID 95715895
5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one
CID 118771885
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-chloro-2-hydroxyphenyl)methanone
CID 56879838
[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone
CID 56863729
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,2-oxazol-3-yl)methanone
CID 118778160
cyclobutyl-[4-(dimethylamino)-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56905451
1-[4-(2-hydroxyethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70724655
2-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]benzonitrile
CID 56874831
[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 56882815

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56873381) is (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CN(C)c1nc(-c2ccccn2)nc2c1CCN(C(=O)c1ccc(Cl)cn1)C2.
What is the InChIKey of (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is AJTWFTQLPIZAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-26(2)19-14-8-10-27(20(28)16-7-6-13(21)11-23-16)12-17(14)24-18(25-19)15-5-3-4-9-22-15/h3-7,9,11H,8,10,12H2,1-2H3.
What are the key properties of (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
(5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 394.87 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56873381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).