4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile

C18H24N6O — CID 131996183

IUPAC4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
SMILESCc1cn2nc(C3CCCCN3C)cc2nc1N1CC(O)C(C#N)C1
InChIInChI=1S/C18H24N6O/c1-12-9-24-17(7-14(21-24)15-5-3-4-6-22(15)2)20-18(12)23-10-13(8-19)16(25)11-23/h7,9,13,15-16,25H,3-6,10-11H2,1-2H3
InChIKeyXXRDCSLYIGEMFK-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.52
Rot. Bonds2

About 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile

4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (PubChem CID 131996183) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
PubChem CID131996183
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
SMILESCc1cn2nc(C3CCCCN3C)cc2nc1N1CC(O)C(C#N)C1
InChIInChI=1S/C18H24N6O/c1-12-9-24-17(7-14(21-24)15-5-3-4-6-22(15)2)20-18(12)23-10-13(8-19)16(25)11-23/h7,9,13,15-16,25H,3-6,10-11H2,1-2H3
InChIKeyXXRDCSLYIGEMFK-UHFFFAOYSA-N
XLogP1.52
TPSA80.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R)-4-hydroxy-1-[6-methyl-2-[(2S)-1-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 71622552
4-hydroxy-1-[6-methyl-2-[1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 78137234
(3S,4R)-1-[2-[(2S)-1-(3-chloro-2,4,5-trifluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-hydroxypyrrolidine-3-carbonitrile
CID 71622004
(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(2-methoxy-4-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 71621404
1-[2-[1-(2-chloro-5-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-hydroxypyrrolidine-3-carbonitrile
CID 78137290
(3S,4R)-1-[2-[(2S)-1-(5-chloro-2-methoxybenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-hydroxypyrrolidine-3-carbonitrile
CID 71622005
N-[4-chloro-2-[(2S)-2-[5-[(3S,4R)-3-cyano-4-hydroxypyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58030272
(3R)-1-[2-[(2S)-1-[1-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethenyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-ethynylpyrrolidin-3-ol
CID 145014791
1-[2-[1-(ethylamino)butyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-hydroxypyrrolidine-3-carbonitrile
CID 123763859
(3S)-1-[2-[(2S)-1-(2-chloro-5-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 131996401
1-[2-[1-(5-chloro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 123652605
1-[6-methyl-2-[1-(2-phenylbenzoyl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 123173645

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The IUPAC name of 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (CID 131996183) is 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile is Cc1cn2nc(C3CCCCN3C)cc2nc1N1CC(O)C(C#N)C1.
What is the InChIKey of 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The InChIKey is XXRDCSLYIGEMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-9-24-17(7-14(21-24)15-5-3-4-6-22(15)2)20-18(12)23-10-13(8-19)16(25)11-23/h7,9,13,15-16,25H,3-6,10-11H2,1-2H3.
What are the key properties of 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[6-methyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 131996183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).