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

C22H23N5O — CID 56876767

IUPAC[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCc3c(nc(-c4ccccn4)nc3N(C)C)C2)c1
InChIInChI=1S/C22H23N5O/c1-15-7-6-8-16(13-15)22(28)27-12-10-17-19(14-27)24-20(25-21(17)26(2)3)18-9-4-5-11-23-18/h4-9,11,13H,10,12,14H2,1-3H3
InChIKeyAMJHWVZOAXMMAN-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.11
Rot. Bonds3

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

[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone (PubChem CID 56876767) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone
PubChem CID56876767
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCc3c(nc(-c4ccccn4)nc3N(C)C)C2)c1
InChIInChI=1S/C22H23N5O/c1-15-7-6-8-16(13-15)22(28)27-12-10-17-19(14-27)24-20(25-21(17)26(2)3)18-9-4-5-11-23-18/h4-9,11,13H,10,12,14H2,1-3H3
InChIKeyAMJHWVZOAXMMAN-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
1-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-hydroxypropan-1-one
CID 56875975
(5-chloro-2-pyridinyl)-[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56873381
(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
[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-fluoro-4-methylphenyl)methanone
CID 56872654
[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 56882815
[4-[2-(dimethylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 75373060
(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 142341724
1-[4-(2-hydroxyethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70724655
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1H-pyrrol-2-yl)methanone
CID 56863729

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone (CID 56876767) is [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCc3c(nc(-c4ccccn4)nc3N(C)C)C2)c1.
What is the InChIKey of [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone?
The InChIKey is AMJHWVZOAXMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-7-6-8-16(13-15)22(28)27-12-10-17-19(14-27)24-20(25-21(17)26(2)3)18-9-4-5-11-23-18/h4-9,11,13H,10,12,14H2,1-3H3.
What are the key properties of [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone?
[4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 56876767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).