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

C22H24N8OS — CID 46892310

IUPACN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C22H24N8OS/c1-29(2)13-20(31)24-15-5-7-16(8-6-15)32-21-12-19-23-9-10-30(19)22(26-21)25-18-11-17(27-28-18)14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,24,31)(H2,25,26,27,28)
InChIKeyLANOFFPJJSXBKV-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.72
Rot. Bonds8

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

N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide (PubChem CID 46892310) has the molecular formula C22H24N8OS and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide
PubChem CID46892310
Molecular FormulaC22H24N8OS
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C22H24N8OS/c1-29(2)13-20(31)24-15-5-7-16(8-6-15)32-21-12-19-23-9-10-30(19)22(26-21)25-18-11-17(27-28-18)14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,24,31)(H2,25,26,27,28)
InChIKeyLANOFFPJJSXBKV-UHFFFAOYSA-N
XLogP3.72
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide (CID 46892310) is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide?
The InChIKey is LANOFFPJJSXBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8OS/c1-29(2)13-20(31)24-15-5-7-16(8-6-15)32-21-12-19-23-9-10-30(19)22(26-21)25-18-11-17(27-28-18)14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,24,31)(H2,25,26,27,28).
What are the key properties of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide?
N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide has a molecular weight of 448.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 46892310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).