N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide

C21H21N7O2S — CID 46892308

IUPACN-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide
SMILESC=CCOCC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C21H21N7O2S/c1-3-10-30-13-19(29)23-15-4-6-16(7-5-15)31-20-12-18-22-8-9-28(18)21(25-20)24-17-11-14(2)26-27-17/h3-9,11-12H,1,10,13H2,2H3,(H,23,29)(H2,24,25,26,27)
InChIKeyDUHGSCVQPJQBGS-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.80
Rot. Bonds9

About N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide

N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide (PubChem CID 46892308) has the molecular formula C21H21N7O2S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide.

Molecular Properties

Compound NameN-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide
PubChem CID46892308
Molecular FormulaC21H21N7O2S
Molecular Weight435.51 g/mol
Exact Mass435.15
IUPAC NameN-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide
SMILESC=CCOCC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C21H21N7O2S/c1-3-10-30-13-19(29)23-15-4-6-16(7-5-15)31-20-12-18-22-8-9-28(18)21(25-20)24-17-11-14(2)26-27-17/h3-9,11-12H,1,10,13H2,2H3,(H,23,29)(H2,24,25,26,27)
InChIKeyDUHGSCVQPJQBGS-UHFFFAOYSA-N
XLogP3.80
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide 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-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide?
The IUPAC name of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide (CID 46892308) is N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide.
What is the SMILES notation for N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide?
The canonical SMILES for N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide is C=CCOCC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C)[nH]n3)n2)cc1.
What is the InChIKey of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide?
The InChIKey is DUHGSCVQPJQBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2S/c1-3-10-30-13-19(29)23-15-4-6-16(7-5-15)31-20-12-18-22-8-9-28(18)21(25-20)24-17-11-14(2)26-27-17/h3-9,11-12H,1,10,13H2,2H3,(H,23,29)(H2,24,25,26,27).
What are the key properties of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide?
N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide has a molecular weight of 435.51 g/mol, XLogP of 3.80, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide is sourced from PubChem (CID 46892308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).