[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C17H20N6O — CID 110132814

IUPAC[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc2nc(C3CCN(C(=O)c4cnn(C)c4)CC3)ccn2n1
InChIInChI=1S/C17H20N6O/c1-12-9-16-19-15(5-8-23(16)20-12)13-3-6-22(7-4-13)17(24)14-10-18-21(2)11-14/h5,8-11,13H,3-4,6-7H2,1-2H3
InChIKeySIDQNGMLHJWOIQ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.79
Rot. Bonds2

About [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110132814) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID110132814
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc2nc(C3CCN(C(=O)c4cnn(C)c4)CC3)ccn2n1
InChIInChI=1S/C17H20N6O/c1-12-9-16-19-15(5-8-23(16)20-12)13-3-6-22(7-4-13)17(24)14-10-18-21(2)11-14/h5,8-11,13H,3-4,6-7H2,1-2H3
InChIKeySIDQNGMLHJWOIQ-UHFFFAOYSA-N
XLogP1.79
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110132844
(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 92615374
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95824574
(1-methylpyrazol-3-yl)-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824434
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
3-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-1-sulfamoylpyrrole-2-carboxylic acid
CID 153145706
(1-methylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 95811532
[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823156
(3-amino-4-methylphenyl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 118143965
[(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95828710
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110132814) is [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1cc2nc(C3CCN(C(=O)c4cnn(C)c4)CC3)ccn2n1.
What is the InChIKey of [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is SIDQNGMLHJWOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-9-16-19-15(5-8-23(16)20-12)13-3-6-22(7-4-13)17(24)14-10-18-21(2)11-14/h5,8-11,13H,3-4,6-7H2,1-2H3.
What are the key properties of [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 324.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110132814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).