7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one

C25H31N5O2 — CID 77211633

IUPAC7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CCOC4)n3)cc2)CC1
InChIInChI=1S/C25H31N5O2/c1-3-30-11-8-18(9-12-30)17-4-6-19(7-5-17)21-14-22-23(25(31)29(2)16-26-22)24(28-21)27-20-10-13-32-15-20/h4-7,14,16,18,20H,3,8-13,15H2,1-2H3,(H,27,28)
InChIKeyBPKRPYMPEDTPLM-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.40
Rot. Bonds5

About 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 77211633) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID77211633
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CCOC4)n3)cc2)CC1
InChIInChI=1S/C25H31N5O2/c1-3-30-11-8-18(9-12-30)17-4-6-19(7-5-17)21-14-22-23(25(31)29(2)16-26-22)24(28-21)27-20-10-13-32-15-20/h4-7,14,16,18,20H,3,8-13,15H2,1-2H3,(H,27,28)
InChIKeyBPKRPYMPEDTPLM-UHFFFAOYSA-N
XLogP3.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

7-[4-(1-ethylazetidin-3-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 77211595
7-[4-(1-ethylpiperidin-4-yl)-3-methylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66959363
7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959326
7-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66959684
7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66958997
7-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylsulfonylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66959387
5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959853
4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
CID 66959397
3-methyl-7-(4-piperidin-4-ylphenyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959522
5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66958881
5-(cyclopropylamino)-3-methyl-7-[4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923268
5-(1,3-dioxolan-2-ylmethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959637

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 77211633) is 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one is CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CCOC4)n3)cc2)CC1.
What is the InChIKey of 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BPKRPYMPEDTPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-3-30-11-8-18(9-12-30)17-4-6-19(7-5-17)21-14-22-23(25(31)29(2)16-26-22)24(28-21)27-20-10-13-32-15-20/h4-7,14,16,18,20H,3,8-13,15H2,1-2H3,(H,27,28).
What are the key properties of 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 433.56 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 77211633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).