2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C16H18N6O — CID 71926466

IUPAC2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C)n1nc2c(cc1=O)CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C16H18N6O/c1-10(2)22-14(23)7-11-8-21(6-4-13(11)20-22)16-12-3-5-17-15(12)18-9-19-16/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,17,18,19)
InChIKeyDFVFCFRLSLZYBS-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.66
Rot. Bonds2

About 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 71926466) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID71926466
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C)n1nc2c(cc1=O)CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C16H18N6O/c1-10(2)22-14(23)7-11-8-21(6-4-13(11)20-22)16-12-3-5-17-15(12)18-9-19-16/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,17,18,19)
InChIKeyDFVFCFRLSLZYBS-UHFFFAOYSA-N
XLogP1.66
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 56711617
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 146089042
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 136523184
1-[(3,5-dimethylphenyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 70713240
4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110873280
4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 171323909
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
(2S)-1-[(2R)-2-ethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 98774925
6-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 71926467
2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 163352035
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700
1-[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone
CID 176575619

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 71926466) is 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is CC(C)n1nc2c(cc1=O)CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is DFVFCFRLSLZYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10(2)22-14(23)7-11-8-21(6-4-13(11)20-22)16-12-3-5-17-15(12)18-9-19-16/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 310.36 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 71926466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).