(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone

C20H27N5O2 — CID 86824146

IUPAC(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C20H27N5O2/c1-14-4-10-23(11-5-14)19(26)16-6-12-24(13-7-16)20(27)17-15(2)22-25-9-3-8-21-18(17)25/h3,8-9,14,16H,4-7,10-13H2,1-2H3
InChIKeyHJTVOSWTPNVARR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.15
Rot. Bonds2

About (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 86824146) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
PubChem CID86824146
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C20H27N5O2/c1-14-4-10-23(11-5-14)19(26)16-6-12-24(13-7-16)20(27)17-15(2)22-25-9-3-8-21-18(17)25/h3,8-9,14,16H,4-7,10-13H2,1-2H3
InChIKeyHJTVOSWTPNVARR-UHFFFAOYSA-N
XLogP2.15
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87009980
(4-methylphenyl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824640
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87045188
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 86839792
[1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20892732
(3R)-3-methyl-1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124694636
2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 87044984
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55820590
2-(4-chlorophenoxy)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]ethanone
CID 55888174
[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 97026578
1-[3-fluoro-4-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 87045018
2-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 86822827

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone (CID 86824146) is (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone is Cc1nn2cccnc2c1C(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone?
The InChIKey is HJTVOSWTPNVARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-4-10-23(11-5-14)19(26)16-6-12-24(13-7-16)20(27)17-15(2)22-25-9-3-8-21-18(17)25/h3,8-9,14,16H,4-7,10-13H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 86824146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).