2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C15H17N7 — CID 56781611

IUPAC2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(c1ncnc3c1cnn3C)CC2
InChIInChI=1S/C15H17N7/c1-3-13-16-6-10-4-5-22(8-12(10)20-13)15-11-7-19-21(2)14(11)17-9-18-15/h6-7,9H,3-5,8H2,1-2H3
InChIKeyKQYBBNRFIVPBRA-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.28
Rot. Bonds2

About 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 56781611) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID56781611
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(c1ncnc3c1cnn3C)CC2
InChIInChI=1S/C15H17N7/c1-3-13-16-6-10-4-5-22(8-12(10)20-13)15-11-7-19-21(2)14(11)17-9-18-15/h6-7,9H,3-5,8H2,1-2H3
InChIKeyKQYBBNRFIVPBRA-UHFFFAOYSA-N
XLogP1.28
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 71926467
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 56711617
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126630251
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylic acid
CID 166304021
1-methyl-4-[4-[(2,3,4,5,6-pentafluorophenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 18150395
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 56781611) is 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCc1ncc2c(n1)CN(c1ncnc3c1cnn3C)CC2.
What is the InChIKey of 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is KQYBBNRFIVPBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-3-13-16-6-10-4-5-22(8-12(10)20-13)15-11-7-19-21(2)14(11)17-9-18-15/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 295.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 56781611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).