3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

C21H24N6O — CID 95850544

IUPAC3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CCc2nc([C@H]3CCCN3)ncc2C1
InChIInChI=1S/C21H24N6O/c28-20(8-11-27-19-6-2-1-4-15(19)13-24-27)26-10-7-17-16(14-26)12-23-21(25-17)18-5-3-9-22-18/h1-2,4,6,12-13,18,22H,3,5,7-11,14H2/t18-/m1/s1
InChIKeyGPSINPUEPUUISL-GOSISDBHSA-N
MW376.46 g/mol
LogP2.23
Rot. Bonds4

About 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (PubChem CID 95850544) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
PubChem CID95850544
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESO=C(CCn1ncc2ccccc21)N1CCc2nc([C@H]3CCCN3)ncc2C1
InChIInChI=1S/C21H24N6O/c28-20(8-11-27-19-6-2-1-4-15(19)13-24-27)26-10-7-17-16(14-26)12-23-21(25-17)18-5-3-9-22-18/h1-2,4,6,12-13,18,22H,3,5,7-11,14H2/t18-/m1/s1
InChIKeyGPSINPUEPUUISL-GOSISDBHSA-N
XLogP2.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one with MolForge

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Related Compounds

1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110240996
3-methyl-1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
CID 110240958
3-methyl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92578997
3-(1,3-benzothiazol-2-yl)-1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
CID 110243536
isoquinolin-1-yl-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 110240984
3-(4-methoxyphenyl)-1-[2-[(2R)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92595626
3-(4-methoxyphenyl)-1-[2-[(2S)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92595625
2-(3-methoxyphenyl)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92599423
2-(2,4-difluorophenoxy)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92568212
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92571830
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-[(2S)-piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92571825
6-[(3R)-3-phenylbutyl]-2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 124823953

Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (CID 95850544) is 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is O=C(CCn1ncc2ccccc21)N1CCc2nc([C@H]3CCCN3)ncc2C1.
What is the InChIKey of 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is GPSINPUEPUUISL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N6O/c28-20(8-11-27-19-6-2-1-4-15(19)13-24-27)26-10-7-17-16(14-26)12-23-21(25-17)18-5-3-9-22-18/h1-2,4,6,12-13,18,22H,3,5,7-11,14H2/t18-/m1/s1.
What are the key properties of 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 376.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 95850544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).