9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane

C19H30N6 — CID 56911277

IUPAC9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane
SMILESCC(C)c1nc(N2CCCC3(CCNCC3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C19H30N6/c1-14(2)16-22-17-15(13-21-24(17)3)18(23-16)25-11-4-5-19(8-12-25)6-9-20-10-7-19/h13-14,20H,4-12H2,1-3H3
InChIKeyWPFSGDSXHUKRPV-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.85
Rot. Bonds2

About 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane

9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane (PubChem CID 56911277) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane
PubChem CID56911277
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane
SMILESCC(C)c1nc(N2CCCC3(CCNCC3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C19H30N6/c1-14(2)16-22-17-15(13-21-24(17)3)18(23-16)25-11-4-5-19(8-12-25)6-9-20-10-7-19/h13-14,20H,4-12H2,1-3H3
InChIKeyWPFSGDSXHUKRPV-UHFFFAOYSA-N
XLogP2.85
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethylpiperazin-1-yl)-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 56890443
4-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 95708844
(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 95720333
1-phenyl-4-piperazin-1-yl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 42671771
N-[[(2R)-8-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 95724463
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
CID 107407344
N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 50795389
9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
CID 154907815

Frequently Asked Questions

What is the IUPAC name of 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane?
The IUPAC name of 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane (CID 56911277) is 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane.
What is the SMILES notation for 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane?
The canonical SMILES for 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane is CC(C)c1nc(N2CCCC3(CCNCC3)CC2)c2cnn(C)c2n1.
What is the InChIKey of 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane?
The InChIKey is WPFSGDSXHUKRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-14(2)16-22-17-15(13-21-24(17)3)18(23-16)25-11-4-5-19(8-12-25)6-9-20-10-7-19/h13-14,20H,4-12H2,1-3H3.
What are the key properties of 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane?
9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane has a molecular weight of 342.49 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane is sourced from PubChem (CID 56911277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).