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

C21H26ClN5O — CID 7236924

IUPAC(4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCN1CCN(c2nc(C)nc3c2CN(C(=O)c2ccc(Cl)cc2)CC3)CC1
InChIInChI=1S/C21H26ClN5O/c1-3-25-10-12-26(13-11-25)20-18-14-27(9-8-19(18)23-15(2)24-20)21(28)16-4-6-17(22)7-5-16/h4-7H,3,8-14H2,1-2H3
InChIKeyPLDIDGSBBRGBQQ-UHFFFAOYSA-N
MW399.93 g/mol
LogP2.78
Rot. Bonds3

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

(4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 7236924) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID7236924
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name(4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCCN1CCN(c2nc(C)nc3c2CN(C(=O)c2ccc(Cl)cc2)CC3)CC1
InChIInChI=1S/C21H26ClN5O/c1-3-25-10-12-26(13-11-25)20-18-14-27(9-8-19(18)23-15(2)24-20)21(28)16-4-6-17(22)7-5-16/h4-7H,3,8-14H2,1-2H3
InChIKeyPLDIDGSBBRGBQQ-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7283817
(3,4-dichlorophenyl)-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7481830
(4-chlorophenyl)-[4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 4273923
(4-tert-butylphenyl)-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7216299
(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(4-phenylphenyl)methanone
CID 7264631
(4-butylphenyl)-(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7439367
(2-methyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(4-phenylphenyl)methanone
CID 7361589
(4-methoxyphenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7237028
(3-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7262567
[4-(4-ethylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-hexylphenyl)methanone
CID 46127049
N-(4-chlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 3514674
(3-fluorophenyl)-[2-methyl-4-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42788599

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 7236924) is (4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CCN1CCN(c2nc(C)nc3c2CN(C(=O)c2ccc(Cl)cc2)CC3)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is PLDIDGSBBRGBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O/c1-3-25-10-12-26(13-11-25)20-18-14-27(9-8-19(18)23-15(2)24-20)21(28)16-4-6-17(22)7-5-16/h4-7H,3,8-14H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 399.93 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(4-ethylpiperazin-1-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 7236924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).