1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C21H33N5O — CID 56864967

IUPAC1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(C)nc2N2CCC(C(C)N3CCCC3)CC2)C1
InChIInChI=1S/C21H33N5O/c1-15(24-9-4-5-10-24)18-6-11-25(12-7-18)21-19-8-13-26(17(3)27)14-20(19)22-16(2)23-21/h15,18H,4-14H2,1-3H3
InChIKeyKDHFEWKPEZUGQD-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.39
Rot. Bonds3

About 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56864967) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID56864967
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(C)nc2N2CCC(C(C)N3CCCC3)CC2)C1
InChIInChI=1S/C21H33N5O/c1-15(24-9-4-5-10-24)18-6-11-25(12-7-18)21-19-8-13-26(17(3)27)14-20(19)22-16(2)23-21/h15,18H,4-14H2,1-3H3
InChIKeyKDHFEWKPEZUGQD-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone with MolForge

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697
2-[[7-Acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl](methyl)amino]ethanol
CID 56868073
7-(Cyclopropylcarbonyl)-4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56868241
N,N-dimethyl-7-(piperidin-1-ylacetyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870004
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(diethylamino)propan-1-one
CID 56870569
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379
1-{2-[2,4-bis(dimethylamino)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-2-oxoethyl}piperidin-4-ol
CID 56872378
7-[(isopropylthio)acetyl]-N,N,N',N'-tetramethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56878155
7-(cyclopropylcarbonyl)-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56881261
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
CID 56912768
1-(4-{4,8-Dimethyl-5H,6H,7H-pyrido[2,3-D]pyrimidin-2-YL}piperidin-1-YL)propan-1-one
CID 92621633

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56864967) is 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(C)nc2N2CCC(C(C)N3CCCC3)CC2)C1.
What is the InChIKey of 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is KDHFEWKPEZUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-15(24-9-4-5-10-24)18-6-11-25(12-7-18)21-19-8-13-26(17(3)27)14-20(19)22-16(2)23-21/h15,18H,4-14H2,1-3H3.
What are the key properties of 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 371.53 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56864967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).