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

C20H18FN7OS — CID 59298930

IUPACN-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3ncc(F)n23)n[nH]1
InChIInChI=1S/C20H18FN7OS/c1-11-8-16(27-26-11)24-20-25-18(9-17-22-10-15(21)28(17)20)30-14-6-4-13(5-7-14)23-19(29)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,29)(H2,24,25,26,27)
InChIKeyDBJVMBQUPWEOBO-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.14
Rot. Bonds6

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

N-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 59298930) has the molecular formula C20H18FN7OS and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID59298930
Molecular FormulaC20H18FN7OS
Molecular Weight423.48 g/mol
Exact Mass423.13
IUPAC NameN-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3ncc(F)n23)n[nH]1
InChIInChI=1S/C20H18FN7OS/c1-11-8-16(27-26-11)24-20-25-18(9-17-22-10-15(21)28(17)20)30-14-6-4-13(5-7-14)23-19(29)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,29)(H2,24,25,26,27)
InChIKeyDBJVMBQUPWEOBO-UHFFFAOYSA-N
XLogP4.14
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-fluoro-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-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (CID 59298930) is N-[4-[3-fluoro-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-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-fluoro-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)cc3ncc(F)n23)n[nH]1.
What is the InChIKey of N-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is DBJVMBQUPWEOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7OS/c1-11-8-16(27-26-11)24-20-25-18(9-17-22-10-15(21)28(17)20)30-14-6-4-13(5-7-14)23-19(29)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,29)(H2,24,25,26,27).
What are the key properties of N-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
N-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 59298930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).