3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide

C25H32N8O2 — CID 124973284

IUPAC3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
SMILESCc1nn(C)cc1NC(=O)CN1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C25H32N8O2/c1-16-20(14-32(4)30-16)28-22(34)15-33-11-6-5-10-21(33)23-19(13-27-25(29-23)31(2)3)17-8-7-9-18(12-17)24(26)35/h7-9,12-14,21H,5-6,10-11,15H2,1-4H3,(H2,26,35)(H,28,34)/t21-/m1/s1
InChIKeyKJAQEPXYCMCCDR-OAQYLSRUSA-N
MW476.59 g/mol
LogP2.52
Rot. Bonds7

About 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide

3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide (PubChem CID 124973284) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
PubChem CID124973284
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
SMILESCc1nn(C)cc1NC(=O)CN1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C25H32N8O2/c1-16-20(14-32(4)30-16)28-22(34)15-33-11-6-5-10-21(33)23-19(13-27-25(29-23)31(2)3)17-8-7-9-18(12-17)24(26)35/h7-9,12-14,21H,5-6,10-11,15H2,1-4H3,(H2,26,35)(H,28,34)/t21-/m1/s1
InChIKeyKJAQEPXYCMCCDR-OAQYLSRUSA-N
XLogP2.52
TPSA122.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide (CID 124973284) is 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide is Cc1nn(C)cc1NC(=O)CN1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide?
The InChIKey is KJAQEPXYCMCCDR-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-16-20(14-32(4)30-16)28-22(34)15-33-11-6-5-10-21(33)23-19(13-27-25(29-23)31(2)3)17-8-7-9-18(12-17)24(26)35/h7-9,12-14,21H,5-6,10-11,15H2,1-4H3,(H2,26,35)(H,28,34)/t21-/m1/s1.
What are the key properties of 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide?
3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide has a molecular weight of 476.59 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 124973284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).