6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H27N9O — CID 137097239

IUPAC6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)c1cc(N(C2CC2)C2CCN(c3nc4c(cnn4C)c(=O)[nH]3)CC2)ncn1
InChIInChI=1S/C20H27N9O/c1-26(2)16-10-17(22-12-21-16)29(13-4-5-13)14-6-8-28(9-7-14)20-24-18-15(19(30)25-20)11-23-27(18)3/h10-14H,4-9H2,1-3H3,(H,24,25,30)
InChIKeyFNUYZSZXUWUSGQ-UHFFFAOYSA-N
MW409.50 g/mol
LogP1.15
Rot. Bonds5

About 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137097239) has the molecular formula C20H27N9O and a molecular weight of 409.50 g/mol. Its IUPAC name is 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137097239
Molecular FormulaC20H27N9O
Molecular Weight409.50 g/mol
Exact Mass409.23
IUPAC Name6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)c1cc(N(C2CC2)C2CCN(c3nc4c(cnn4C)c(=O)[nH]3)CC2)ncn1
InChIInChI=1S/C20H27N9O/c1-26(2)16-10-17(22-12-21-16)29(13-4-5-13)14-6-8-28(9-7-14)20-24-18-15(19(30)25-20)11-23-27(18)3/h10-14H,4-9H2,1-3H3,(H,24,25,30)
InChIKeyFNUYZSZXUWUSGQ-UHFFFAOYSA-N
XLogP1.15
TPSA99.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137097230
5-[[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126891533
1-tert-butyl-6-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264676
1-methyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 141390559
6-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137209351
1-methyl-6-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137193673
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126891615
6-[4-(3-isocyano-2-pyridinyl)piperazin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137145491
2-[[1-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 137158972
1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137226125
6-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137205782
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-4,6-diamine
CID 126891509

Frequently Asked Questions

What is the IUPAC name of 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137097239) is 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN(C)c1cc(N(C2CC2)C2CCN(c3nc4c(cnn4C)c(=O)[nH]3)CC2)ncn1.
What is the InChIKey of 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FNUYZSZXUWUSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N9O/c1-26(2)16-10-17(22-12-21-16)29(13-4-5-13)14-6-8-28(9-7-14)20-24-18-15(19(30)25-20)11-23-27(18)3/h10-14H,4-9H2,1-3H3,(H,24,25,30).
What are the key properties of 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 409.50 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[cyclopropyl-[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137097239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).