7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C25H32N6O2 — CID 66959239

IUPAC7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCN(C(=O)Cc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2)CC1
InChIInChI=1S/C25H32N6O2/c1-5-30-10-12-31(13-11-30)22(32)14-18-6-8-19(9-7-18)20-15-21-23(24(28-20)27-17(2)3)25(33)29(4)16-26-21/h6-9,15-17H,5,10-14H2,1-4H3,(H,27,28)
InChIKeyFASMCBPUPYKBAO-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.52
Rot. Bonds6

About 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959239) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959239
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCN(C(=O)Cc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2)CC1
InChIInChI=1S/C25H32N6O2/c1-5-30-10-12-31(13-11-30)22(32)14-18-6-8-19(9-7-18)20-15-21-23(24(28-20)27-17(2)3)25(33)29(4)16-26-21/h6-9,15-17H,5,10-14H2,1-4H3,(H,27,28)
InChIKeyFASMCBPUPYKBAO-UHFFFAOYSA-N
XLogP2.52
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(methoxymethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959304
7-[4-(1-hydroxyethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50924742
3-methyl-5-(propan-2-ylamino)-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959246
5-[[(2S)-1-hydroxypropan-2-yl]amino]-3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959711
7-[4-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylsulfonylphenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923975
7-[4-(1-ethylpiperidin-4-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 77211633
7-[4-(1-ethylazetidin-3-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 77211595
methyl N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]-1-iodopropan-2-yl]carbamate
CID 66959609
4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
CID 66959397
5-(2-hydroxyethylamino)-3-methyl-7-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50924117
5-(2-hydroxypropan-2-ylamino)-3-methyl-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 123716763
1-(4-ethylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]ethanone
CID 110300182

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959239) is 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CCN1CCN(C(=O)Cc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2)CC1.
What is the InChIKey of 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FASMCBPUPYKBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-5-30-10-12-31(13-11-30)22(32)14-18-6-8-19(9-7-18)20-15-21-23(24(28-20)27-17(2)3)25(33)29(4)16-26-21/h6-9,15-17H,5,10-14H2,1-4H3,(H,27,28).
What are the key properties of 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 448.57 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).