N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide

C23H26N8O — CID 167075049

IUPACN-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C3=CNCN=C3)cn2)c(C)c1-c1ccc(N(C)C)nc1
InChIInChI=1S/C23H26N8O/c1-15-23(18-6-8-21(27-12-18)30(3)4)16(2)31(29-15)13-22(32)28-20-7-5-17(11-26-20)19-9-24-14-25-10-19/h5-12,24H,13-14H2,1-4H3,(H,26,28,32)
InChIKeyOZHCZLVMDLXQIA-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.63
Rot. Bonds6

About N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide

N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 167075049) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID167075049
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC NameN-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C3=CNCN=C3)cn2)c(C)c1-c1ccc(N(C)C)nc1
InChIInChI=1S/C23H26N8O/c1-15-23(18-6-8-21(27-12-18)30(3)4)16(2)31(29-15)13-22(32)28-20-7-5-17(11-26-20)19-9-24-14-25-10-19/h5-12,24H,13-14H2,1-4H3,(H,26,28,32)
InChIKeyOZHCZLVMDLXQIA-UHFFFAOYSA-N
XLogP2.63
TPSA100.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide 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 N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide (CID 167075049) is N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(=O)Nc2ccc(C3=CNCN=C3)cn2)c(C)c1-c1ccc(N(C)C)nc1.
What is the InChIKey of N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is OZHCZLVMDLXQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-15-23(18-6-8-21(27-12-18)30(3)4)16(2)31(29-15)13-22(32)28-20-7-5-17(11-26-20)19-9-24-14-25-10-19/h5-12,24H,13-14H2,1-4H3,(H,26,28,32).
What are the key properties of N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide?
N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 430.52 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 167075049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).