3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide

C20H25N7O — CID 95869064

IUPAC3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@@H](CCC(N)=O)C3)c12
InChIInChI=1S/C20H25N7O/c1-13-17-19(26(2)25-13)23-18(15-7-3-4-10-22-15)24-20(17)27-11-5-6-14(12-27)8-9-16(21)28/h3-4,7,10,14H,5-6,8-9,11-12H2,1-2H3,(H2,21,28)/t14-/m0/s1
InChIKeyJPSFHZAOUZEUIB-AWEZNQCLSA-N
MW379.47 g/mol
LogP2.22
Rot. Bonds5

About 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide

3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide (PubChem CID 95869064) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide
PubChem CID95869064
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@@H](CCC(N)=O)C3)c12
InChIInChI=1S/C20H25N7O/c1-13-17-19(26(2)25-13)23-18(15-7-3-4-10-22-15)24-20(17)27-11-5-6-14(12-27)8-9-16(21)28/h3-4,7,10,14H,5-6,8-9,11-12H2,1-2H3,(H2,21,28)/t14-/m0/s1
InChIKeyJPSFHZAOUZEUIB-AWEZNQCLSA-N
XLogP2.22
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide 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

1,3-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
CID 95867116
(3S,4S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 70736952
4-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidine
CID 70752651
tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 56563715
1-[(2S)-2-[[(1,3-dimethyl-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]morpholin-4-yl]ethanone
CID 95867860
3-[(3R)-1-(5,11-dihydro-[1]benzoxepino[3,4-d]pyrimidin-1-yl)piperidin-3-yl]propanamide
CID 97285677
3-[1-(2-amino-5-butyl-6-methylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 72939716
3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 83064668
3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915
3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055
1-[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133421994
4-[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 95880816

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide (CID 95869064) is 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide is Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@@H](CCC(N)=O)C3)c12.
What is the InChIKey of 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is JPSFHZAOUZEUIB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N7O/c1-13-17-19(26(2)25-13)23-18(15-7-3-4-10-22-15)24-20(17)27-11-5-6-14(12-27)8-9-16(21)28/h3-4,7,10,14H,5-6,8-9,11-12H2,1-2H3,(H2,21,28)/t14-/m0/s1.
What are the key properties of 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 379.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 95869064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).