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

C20H20N8OS — CID 46893179

IUPACN-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3nc(N)cn23)n[nH]1
InChIInChI=1S/C20H20N8OS/c1-11-8-16(27-26-11)24-20-25-18(9-17-23-15(21)10-28(17)20)30-14-6-4-13(5-7-14)22-19(29)12-2-3-12/h4-10,12H,2-3,21H2,1H3,(H,22,29)(H2,24,25,26,27)
InChIKeyLFAZSSFGZUTCOR-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.59
Rot. Bonds6

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

N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 46893179) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID46893179
Molecular FormulaC20H20N8OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC NameN-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3nc(N)cn23)n[nH]1
InChIInChI=1S/C20H20N8OS/c1-11-8-16(27-26-11)24-20-25-18(9-17-23-15(21)10-28(17)20)30-14-6-4-13(5-7-14)22-19(29)12-2-3-12/h4-10,12H,2-3,21H2,1H3,(H,22,29)(H2,24,25,26,27)
InChIKeyLFAZSSFGZUTCOR-UHFFFAOYSA-N
XLogP3.59
TPSA126.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide 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-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (CID 46893179) is N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3nc(N)cn23)n[nH]1.
What is the InChIKey of N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is LFAZSSFGZUTCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8OS/c1-11-8-16(27-26-11)24-20-25-18(9-17-23-15(21)10-28(17)20)30-14-6-4-13(5-7-14)22-19(29)12-2-3-12/h4-10,12H,2-3,21H2,1H3,(H,22,29)(H2,24,25,26,27).
What are the key properties of N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46893179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).