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

C23H19N7O — CID 59298993

IUPAC3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide
SMILESCc1cc(Nc2nc(-c3cccc(C(=O)Nc4ccccc4)c3)cc3nccn23)n[nH]1
InChIInChI=1S/C23H19N7O/c1-15-12-20(29-28-15)27-23-26-19(14-21-24-10-11-30(21)23)16-6-5-7-17(13-16)22(31)25-18-8-3-2-4-9-18/h2-14H,1H3,(H,25,31)(H2,26,27,28,29)
InChIKeyLPPRBBIYICZEFR-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.42
Rot. Bonds5

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

3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide (PubChem CID 59298993) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide
PubChem CID59298993
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide
SMILESCc1cc(Nc2nc(-c3cccc(C(=O)Nc4ccccc4)c3)cc3nccn23)n[nH]1
InChIInChI=1S/C23H19N7O/c1-15-12-20(29-28-15)27-23-26-19(14-21-24-10-11-30(21)23)16-6-5-7-17(13-16)22(31)25-18-8-3-2-4-9-18/h2-14H,1H3,(H,25,31)(H2,26,27,28,29)
InChIKeyLPPRBBIYICZEFR-UHFFFAOYSA-N
XLogP4.42
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]urea
CID 59298952
7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 59299209
1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide
CID 46892176
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-prop-2-enoxyacetamide
CID 46892308
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735763
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
N-(5-methyl-1H-pyrazol-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 47925828
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
CID 108808501
3-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]benzenecarboximidamide
CID 20805837
[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol
CID 59299184

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide?
The IUPAC name of 3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide (CID 59298993) is 3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide.
What is the SMILES notation for 3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide?
The canonical SMILES for 3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide is Cc1cc(Nc2nc(-c3cccc(C(=O)Nc4ccccc4)c3)cc3nccn23)n[nH]1.
What is the InChIKey of 3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide?
The InChIKey is LPPRBBIYICZEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-15-12-20(29-28-15)27-23-26-19(14-21-24-10-11-30(21)23)16-6-5-7-17(13-16)22(31)25-18-8-3-2-4-9-18/h2-14H,1H3,(H,25,31)(H2,26,27,28,29).
What are the key properties of 3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide?
3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide has a molecular weight of 409.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide is sourced from PubChem (CID 59298993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).