6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide

C20H19Cl2N7O — CID 46899752

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n(C)n1
InChIInChI=1S/C20H19Cl2N7O/c1-10-6-17(28(3)27-10)26-19(30)16-9-29-18(13-5-4-12(21)7-15(13)22)14(8-23)11(2)24-20(29)25-16/h4-7,9H,8,23H2,1-3H3,(H,26,30)
InChIKeyBVKYXWNXHBSXKO-UHFFFAOYSA-N
MW444.33 g/mol
LogP3.76
Rot. Bonds4

About 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide

6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46899752) has the molecular formula C20H19Cl2N7O and a molecular weight of 444.33 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID46899752
Molecular FormulaC20H19Cl2N7O
Molecular Weight444.33 g/mol
Exact Mass443.10
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n(C)n1
InChIInChI=1S/C20H19Cl2N7O/c1-10-6-17(28(3)27-10)26-19(30)16-9-29-18(13-5-4-12(21)7-15(13)22)14(8-23)11(2)24-20(29)25-16/h4-7,9H,8,23H2,1-3H3,(H,26,30)
InChIKeyBVKYXWNXHBSXKO-UHFFFAOYSA-N
XLogP3.76
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 46899752) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cn3c(-c4ccc(Cl)cc4Cl)c(CN)c(C)nc3n2)n(C)n1.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is BVKYXWNXHBSXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7O/c1-10-6-17(28(3)27-10)26-19(30)16-9-29-18(13-5-4-12(21)7-15(13)22)14(8-23)11(2)24-20(29)25-16/h4-7,9H,8,23H2,1-3H3,(H,26,30).
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 444.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46899752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).