6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one

C25H26N6O3 — CID 3234292

IUPAC6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C25H26N6O3/c1-29-12-14-30(15-13-29)25-26-16-21-23(28-25)31(18-6-10-20(34-3)11-7-18)24(32)22(27-21)17-4-8-19(33-2)9-5-17/h4-11,16H,12-15H2,1-3H3
InChIKeyMWORENZCEPQGMT-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.61
Rot. Bonds5

About 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one

6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one (PubChem CID 3234292) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one.

Molecular Properties

Compound Name6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one
PubChem CID3234292
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C25H26N6O3/c1-29-12-14-30(15-13-29)25-26-16-21-23(28-25)31(18-6-10-20(34-3)11-7-18)24(32)22(27-21)17-4-8-19(33-2)9-5-17/h4-11,16H,12-15H2,1-3H3
InChIKeyMWORENZCEPQGMT-UHFFFAOYSA-N
XLogP2.61
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

p-(18F)MPPF
CID 5352127
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
N-[3-[6-(2-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 166625820
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-N-pyridin-2-yl-benzamide
CID 9823206
N3-(4-Methoxybenzoyl)-N2-[1-(4-pyridyl)-piperidin-4-ylmethyl]-2,3-pyridinediamine
CID 9825165
[4-(4-Methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950864
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-2-piperidineacetamide
CID 16115472
N-[2-[6-(benzylamino)-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24830706
N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24831013

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The IUPAC name of 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one (CID 3234292) is 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one.
What is the SMILES notation for 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The canonical SMILES for 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one is COc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(-c3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The InChIKey is MWORENZCEPQGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-29-12-14-30(15-13-29)25-26-16-21-23(28-25)31(18-6-10-20(34-3)11-7-18)24(32)22(27-21)17-4-8-19(33-2)9-5-17/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one?
6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one has a molecular weight of 458.52 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one is sourced from PubChem (CID 3234292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).