4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C27H32N6O3 — CID 46073061

IUPAC4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1CN(C(=O)Nc1ccc(C)cc1)CC2
InChIInChI=1S/C27H32N6O3/c1-19-8-10-20(11-9-19)28-27(34)33-13-12-22-21(18-33)25(36-24-7-5-4-6-23(24)35-3)30-26(29-22)32-16-14-31(2)15-17-32/h4-11H,12-18H2,1-3H3,(H,28,34)
InChIKeyQNCARTMDOKSVTM-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.93
Rot. Bonds5

About 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46073061) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID46073061
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1CN(C(=O)Nc1ccc(C)cc1)CC2
InChIInChI=1S/C27H32N6O3/c1-19-8-10-20(11-9-19)28-27(34)33-13-12-22-21(18-33)25(36-24-7-5-4-6-23(24)35-3)30-26(29-22)32-16-14-31(2)15-17-32/h4-11H,12-18H2,1-3H3,(H,28,34)
InChIKeyQNCARTMDOKSVTM-UHFFFAOYSA-N
XLogP3.93
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46073062
(2,6-difluorophenyl)-[4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46073649
N-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 83283735
1-[4-(2-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methoxyphenyl)ethanone
CID 46073650
4-(3,4-difluorophenoxy)-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072973
[4-(2-methoxyphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone
CID 46073619
cyclopropyl-[4-(4-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050461
furan-2-yl-[4-(4-methylphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050479
4-(4-fluoro-3-methylphenoxy)-N-phenyl-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072991
(2R)-1-[4-(2-methoxyphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 93001997
(2,4-difluorophenyl)-[4-(2-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46073764
4-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46072942

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46073061) is 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is COc1ccccc1Oc1nc(N2CCN(C)CC2)nc2c1CN(C(=O)Nc1ccc(C)cc1)CC2.
What is the InChIKey of 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is QNCARTMDOKSVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-19-8-10-20(11-9-19)28-27(34)33-13-12-22-21(18-33)25(36-24-7-5-4-6-23(24)35-3)30-26(29-22)32-16-14-31(2)15-17-32/h4-11H,12-18H2,1-3H3,(H,28,34).
What are the key properties of 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46073061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).