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

C19H17Cl2N7O — CID 46899939

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)Nc3ccnn3C)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C19H17Cl2N7O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)28-9-15(25-19(28)24-10)18(29)26-16-5-6-23-27(16)2/h3-7,9H,8,22H2,1-2H3,(H,26,29)
InChIKeyZSANYRQZXIRJRH-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.46
Rot. Bonds4

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

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46899939) has the molecular formula C19H17Cl2N7O and a molecular weight of 430.30 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID46899939
Molecular FormulaC19H17Cl2N7O
Molecular Weight430.30 g/mol
Exact Mass429.09
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)Nc3ccnn3C)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C19H17Cl2N7O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)28-9-15(25-19(28)24-10)18(29)26-16-5-6-23-27(16)2/h3-7,9H,8,22H2,1-2H3,(H,26,29)
InChIKeyZSANYRQZXIRJRH-UHFFFAOYSA-N
XLogP3.46
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.46
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)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 46899939) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)Nc3ccnn3C)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is ZSANYRQZXIRJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N7O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)28-9-15(25-19(28)24-10)18(29)26-16-5-6-23-27(16)2/h3-7,9H,8,22H2,1-2H3,(H,26,29).
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 430.30 g/mol, XLogP of 3.46, 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)-7-methyl-N-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46899939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).