(4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C22H28ClN5O — CID 42855500

IUPAC(4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC1CCN(c2nc3c(c(N(C)C)n2)CN(C(=O)c2ccc(Cl)cc2)CC3)CC1
InChIInChI=1S/C22H28ClN5O/c1-15-8-11-27(12-9-15)22-24-19-10-13-28(14-18(19)20(25-22)26(2)3)21(29)16-4-6-17(23)7-5-16/h4-7,15H,8-14H2,1-3H3
InChIKeyVZIHLVOKZABCEA-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.63
Rot. Bonds3

About (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 42855500) has the molecular formula C22H28ClN5O and a molecular weight of 413.95 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID42855500
Molecular FormulaC22H28ClN5O
Molecular Weight413.95 g/mol
Exact Mass413.20
IUPAC Name(4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCC1CCN(c2nc3c(c(N(C)C)n2)CN(C(=O)c2ccc(Cl)cc2)CC3)CC1
InChIInChI=1S/C22H28ClN5O/c1-15-8-11-27(12-9-15)22-24-19-10-13-28(14-18(19)20(25-22)26(2)3)21(29)16-4-6-17(23)7-5-16/h4-7,15H,8-14H2,1-3H3
InChIKeyVZIHLVOKZABCEA-UHFFFAOYSA-N
XLogP3.63
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 4273923
[2-(4-methylpiperidin-1-yl)-4-[methyl(propan-2-yl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
CID 42855508
(4-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7283817
[4-(dimethylamino)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46160361
[2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone
CID 46050600
[2,4-bis(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
CID 42855494
[4-(dimethylamino)-2-[4-(4-methylphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methoxyphenyl)methanone
CID 42855403
(2-chlorophenyl)-[4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855695
(4-chlorophenyl)-[2-cyclopropyl-4-(dimethylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 134410734
(2-chloro-3-pyridinyl)-[2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42870813
(2,6-difluorophenyl)-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46072634
(2,4-difluorophenyl)-[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050656

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 42855500) is (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CC1CCN(c2nc3c(c(N(C)C)n2)CN(C(=O)c2ccc(Cl)cc2)CC3)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is VZIHLVOKZABCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O/c1-15-8-11-27(12-9-15)22-24-19-10-13-28(14-18(19)20(25-22)26(2)3)21(29)16-4-6-17(23)7-5-16/h4-7,15H,8-14H2,1-3H3.
What are the key properties of (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 413.95 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(dimethylamino)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 42855500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).