7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C19H21N7O — CID 175641227

IUPAC7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1ncc2c(N3CCC4(CCN(Cc5ccccn5)C4=O)C3)ncnc21
InChIInChI=1S/C19H21N7O/c1-24-16-15(10-23-24)17(22-13-21-16)26-9-6-19(12-26)5-8-25(18(19)27)11-14-4-2-3-7-20-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3
InChIKeyJXYPHMMJBKUGIJ-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.39
Rot. Bonds3

About 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175641227) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175641227
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCn1ncc2c(N3CCC4(CCN(Cc5ccccn5)C4=O)C3)ncnc21
InChIInChI=1S/C19H21N7O/c1-24-16-15(10-23-24)17(22-13-21-16)26-9-6-19(12-26)5-8-25(18(19)27)11-14-4-2-3-7-20-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3
InChIKeyJXYPHMMJBKUGIJ-UHFFFAOYSA-N
XLogP1.39
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(6,7-dimethoxyquinazolin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501614
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
7-[2-(4-chloropyrazol-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176506288
4-methyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
CID 107407344
1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126874144
N,N-dimethyl-1-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370311
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
4-(4-benzyl-1,4-diazepan-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 26021234
7-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641736
7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641918
7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502958
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175641227) is 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is Cn1ncc2c(N3CCC4(CCN(Cc5ccccn5)C4=O)C3)ncnc21.
What is the InChIKey of 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is JXYPHMMJBKUGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-24-16-15(10-23-24)17(22-13-21-16)26-9-6-19(12-26)5-8-25(18(19)27)11-14-4-2-3-7-20-14/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3.
What are the key properties of 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 363.43 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 7-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175641227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).