cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C19H28N4O2 — CID 56861879

IUPACcyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCCOC1CCCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1
InChIInChI=1S/C19H28N4O2/c1-2-10-25-15-4-3-8-22(11-15)18-16-7-9-23(19(24)14-5-6-14)12-17(16)20-13-21-18/h13-15H,2-12H2,1H3
InChIKeyYURXUKJEGOUBCY-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.17
Rot. Bonds5

About cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56861879) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56861879
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Namecyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCCOC1CCCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1
InChIInChI=1S/C19H28N4O2/c1-2-10-25-15-4-3-8-22(11-15)18-16-7-9-23(19(24)14-5-6-14)12-17(16)20-13-21-18/h13-15H,2-12H2,1H3
InChIKeyYURXUKJEGOUBCY-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone 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

4-Methyl-8-[3-(morpholin-4-YL)propyl]-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193733
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one
CID 56803042
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697
7-acetyl-N~2~,N~2~,N~4~-trimethyl-N~4~-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56867377
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
7-acetyl-N~2~,N~2~,N~4~-trimethyl-N~4~-[3-(tetrahydrofuran-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56872517
1-[2-(dimethylamino)-4-[methyl-[2-(oxan-2-yl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56875461
7-(Ethoxyacetyl)-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56879436
7-(cyclopropylcarbonyl)-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56881261
7-[3-(Methylthio)propanoyl]-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 70706686
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one
CID 72044422

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56861879) is cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CCCOC1CCCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1.
What is the InChIKey of cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is YURXUKJEGOUBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-10-25-15-4-3-8-22(11-15)18-16-7-9-23(19(24)14-5-6-14)12-17(16)20-13-21-18/h13-15H,2-12H2,1H3.
What are the key properties of cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3-propoxypiperidin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56861879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).