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

C21H29N7O — CID 69265923

IUPAC[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)nn1C
InChIInChI=1S/C21H29N7O/c1-15-12-18(24-25(15)2)21(29)28-7-6-17-19(13-28)22-14-23-20(17)27-10-8-26(9-11-27)16-4-3-5-16/h12,14,16H,3-11,13H2,1-2H3
InChIKeyDASCLASDSIAOCH-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.39
Rot. Bonds3

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

[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 69265923) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone
PubChem CID69265923
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)nn1C
InChIInChI=1S/C21H29N7O/c1-15-12-18(24-25(15)2)21(29)28-7-6-17-19(13-28)22-14-23-20(17)27-10-8-26(9-11-27)16-4-3-5-16/h12,14,16H,3-11,13H2,1-2H3
InChIKeyDASCLASDSIAOCH-UHFFFAOYSA-N
XLogP1.39
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone with MolForge

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Related Compounds

1-[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-methylbutan-1-one
CID 59670028
1-[4-(4-cyclohexylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-methoxypropan-1-one
CID 143595228
1-[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(iodomethoxy)propan-1-one
CID 89313128
4-(4-cyclobutylpiperazin-1-yl)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24797903
(1,5-dimethylpyrazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45181195
4-(4-cyclobutylpiperazin-1-yl)-7-[(2,4-dichlorophenyl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 59670158
4-(4-cyclobutylpiperazin-1-yl)-7-[(3-ethylimidazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 59670441
7-(cyclohexylmethyl)-4-(4-cyclohexylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 143595596
[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 138808982
4-(4-cyclopentyl-1,4-diazepan-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56906138
(2-methylsulfanyl-1,3-thiazol-4-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 70721103
[4-(4-pentylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-phenylmethanone
CID 143595325

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone (CID 69265923) is [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)nn1C.
What is the InChIKey of [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is DASCLASDSIAOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-15-12-18(24-25(15)2)21(29)28-7-6-17-19(13-28)22-14-23-20(17)27-10-8-26(9-11-27)16-4-3-5-16/h12,14,16H,3-11,13H2,1-2H3.
What are the key properties of [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 395.51 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 69265923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).