2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile

C23H25N7O — CID 142556755

IUPAC2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCC1CN(c2cc(-n3ncc4cnc(C5(C#N)CC56CC6)cc43)ncn2)CC(C)C1O
InChIInChI=1S/C23H25N7O/c1-14-9-29(10-15(2)21(14)31)19-6-20(27-13-26-19)30-17-5-18(25-7-16(17)8-28-30)23(12-24)11-22(23)3-4-22/h5-8,13-15,21,31H,3-4,9-11H2,1-2H3
InChIKeyOOCMUXQCKUJSGU-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.61
Rot. Bonds3

About 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile

2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 142556755) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID142556755
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCC1CN(c2cc(-n3ncc4cnc(C5(C#N)CC56CC6)cc43)ncn2)CC(C)C1O
InChIInChI=1S/C23H25N7O/c1-14-9-29(10-15(2)21(14)31)19-6-20(27-13-26-19)30-17-5-18(25-7-16(17)8-28-30)23(12-24)11-22(23)3-4-22/h5-8,13-15,21,31H,3-4,9-11H2,1-2H3
InChIKeyOOCMUXQCKUJSGU-UHFFFAOYSA-N
XLogP2.61
TPSA103.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 142556755) is 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile is CC1CN(c2cc(-n3ncc4cnc(C5(C#N)CC56CC6)cc43)ncn2)CC(C)C1O.
What is the InChIKey of 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is OOCMUXQCKUJSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-14-9-29(10-15(2)21(14)31)19-6-20(27-13-26-19)30-17-5-18(25-7-16(17)8-28-30)23(12-24)11-22(23)3-4-22/h5-8,13-15,21,31H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile?
2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 415.50 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(4-hydroxy-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 142556755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).