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

C22H23N7OS — CID 46893053

IUPACN-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCC(C)c1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C22H23N7OS/c1-13(2)17-11-18(28-27-17)25-22-26-20(12-19-23-9-10-29(19)22)31-16-7-5-15(6-8-16)24-21(30)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,24,30)(H2,25,26,27,28)
InChIKeyAPLZIBFJUXWHEJ-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.82
Rot. Bonds7

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

N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 46893053) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID46893053
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC NameN-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCC(C)c1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C22H23N7OS/c1-13(2)17-11-18(28-27-17)25-22-26-20(12-19-23-9-10-29(19)22)31-16-7-5-15(6-8-16)24-21(30)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,24,30)(H2,25,26,27,28)
InChIKeyAPLZIBFJUXWHEJ-UHFFFAOYSA-N
XLogP4.82
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-[(5-propan-2-yl-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-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (CID 46893053) is N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is CC(C)c1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)cc3nccn23)n[nH]1.
What is the InChIKey of N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is APLZIBFJUXWHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-13(2)17-11-18(28-27-17)25-22-26-20(12-19-23-9-10-29(19)22)31-16-7-5-15(6-8-16)24-21(30)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,24,30)(H2,25,26,27,28).
What are the key properties of N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 433.54 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46893053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).