[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone

C19H24N8O — CID 126804476

IUPAC[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(c3ccnc(N)n3)C2)c(-c2cnn(C)c2)n1
InChIInChI=1S/C19H24N8O/c1-3-27-12-15(17(24-27)14-9-22-25(2)10-14)18(28)26-8-4-5-13(11-26)16-6-7-21-19(20)23-16/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H2,20,21,23)
InChIKeyXTRQGSJESDTJPZ-UHFFFAOYSA-N
MW380.46 g/mol
LogP1.70
Rot. Bonds4

About [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone

[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone (PubChem CID 126804476) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone
PubChem CID126804476
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(c3ccnc(N)n3)C2)c(-c2cnn(C)c2)n1
InChIInChI=1S/C19H24N8O/c1-3-27-12-15(17(24-27)14-9-22-25(2)10-14)18(28)26-8-4-5-13(11-26)16-6-7-21-19(20)23-16/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H2,20,21,23)
InChIKeyXTRQGSJESDTJPZ-UHFFFAOYSA-N
XLogP1.70
TPSA107.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110271006
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110256085
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-chloro-4-nitrophenyl)methanone
CID 124878814
1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124989647
2,2-dimethyl-1-[(3S)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 125000040

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone (CID 126804476) is [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone is CCn1cc(C(=O)N2CCCC(c3ccnc(N)n3)C2)c(-c2cnn(C)c2)n1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone?
The InChIKey is XTRQGSJESDTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-3-27-12-15(17(24-27)14-9-22-25(2)10-14)18(28)26-8-4-5-13(11-26)16-6-7-21-19(20)23-16/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H2,20,21,23).
What are the key properties of [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone?
[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone has a molecular weight of 380.46 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-[1-ethyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methanone is sourced from PubChem (CID 126804476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).