cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C19H26N6O2 — CID 56872854

IUPACcyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCC(C)Cc1nc(CN(C)c2ncnc3c2CCN(C(=O)C2CC2)C3)no1
InChIInChI=1S/C19H26N6O2/c1-12(2)8-17-22-16(23-27-17)10-24(3)18-14-6-7-25(19(26)13-4-5-13)9-15(14)20-11-21-18/h11-13H,4-10H2,1-3H3
InChIKeyAKLOUPDOYDVZMB-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.99
Rot. Bonds6

About cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56872854) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56872854
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Namecyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCC(C)Cc1nc(CN(C)c2ncnc3c2CCN(C(=O)C2CC2)C3)no1
InChIInChI=1S/C19H26N6O2/c1-12(2)8-17-22-16(23-27-17)10-24(3)18-14-6-7-25(19(26)13-4-5-13)9-15(14)20-11-21-18/h11-13H,4-10H2,1-3H3
InChIKeyAKLOUPDOYDVZMB-UHFFFAOYSA-N
XLogP1.99
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone with MolForge

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Related Compounds

5-Cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 133460446
5-cyclopropyl-3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2,4-oxadiazole
CID 53607154
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 56862674
7-(Cyclopropylcarbonyl)-4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56868241
7-(cyclopropylcarbonyl)-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56881261
1-[2-[7-(cyclopropylmethyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110265912
2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56754203
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56755030
3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 75419966
2-methyl-4-pyrrolidin-1-yl-7-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 118786005
4-(5,6-Dimethylpyrimidin-4-YL)-N-[(5-isopropyl-1,2,4-oxadiazol-3-YL)methyl]piperazine-1-carboxamide
CID 121495368

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56872854) is cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CC(C)Cc1nc(CN(C)c2ncnc3c2CCN(C(=O)C2CC2)C3)no1.
What is the InChIKey of cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is AKLOUPDOYDVZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12(2)8-17-22-16(23-27-17)10-24(3)18-14-6-7-25(19(26)13-4-5-13)9-15(14)20-11-21-18/h11-13H,4-10H2,1-3H3.
What are the key properties of cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 370.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56872854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).