2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H25N7O — CID 70725204

IUPAC2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESNc1nc(N2CCC3(CCCN(CC4CCC4)C3=O)C2)c2cn[nH]c2n1
InChIInChI=1S/C18H25N7O/c19-17-21-14-13(9-20-23-14)15(22-17)25-8-6-18(11-25)5-2-7-24(16(18)26)10-12-3-1-4-12/h9,12H,1-8,10-11H2,(H3,19,20,21,22,23)
InChIKeyPBLIRZMTMODXKD-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.55
Rot. Bonds3

About 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 70725204) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID70725204
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESNc1nc(N2CCC3(CCCN(CC4CCC4)C3=O)C2)c2cn[nH]c2n1
InChIInChI=1S/C18H25N7O/c19-17-21-14-13(9-20-23-14)15(22-17)25-8-6-18(11-25)5-2-7-24(16(18)26)10-12-3-1-4-12/h9,12H,1-8,10-11H2,(H3,19,20,21,22,23)
InChIKeyPBLIRZMTMODXKD-UHFFFAOYSA-N
XLogP1.55
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97202341
2-[(5R)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
CID 97127606
2-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxamide
CID 97127607
(5R)-7-(cyclopropylmethyl)-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97142044
7-(cyclopropylmethyl)-2-(5,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72909219
6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid
CID 97122101
(5S)-7-(cyclobutylmethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97154315
(5R)-7-(cyclobutylmethyl)-2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97145549
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-methylpyridine-3-carbonitrile
CID 97151257
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
CID 95463470

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 70725204) is 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one is Nc1nc(N2CCC3(CCCN(CC4CCC4)C3=O)C2)c2cn[nH]c2n1.
What is the InChIKey of 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PBLIRZMTMODXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c19-17-21-14-13(9-20-23-14)15(22-17)25-8-6-18(11-25)5-2-7-24(16(18)26)10-12-3-1-4-12/h9,12H,1-8,10-11H2,(H3,19,20,21,22,23).
What are the key properties of 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 355.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 70725204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).