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

C23H17Cl2N7OS — CID 46900105

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C23H17Cl2N7OS/c1-12-16(8-26)20(15-5-4-14(24)7-17(15)25)32-10-18(29-22(32)28-12)21(33)31-23-30-19(11-34-23)13-3-2-6-27-9-13/h2-7,9-11H,8,26H2,1H3,(H,30,31,33)
InChIKeyLLQGTCNVKSGYQG-UHFFFAOYSA-N
MW510.41 g/mol
LogP5.24
Rot. Bonds5

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

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46900105) has the molecular formula C23H17Cl2N7OS and a molecular weight of 510.41 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID46900105
Molecular FormulaC23H17Cl2N7OS
Molecular Weight510.41 g/mol
Exact Mass509.06
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C23H17Cl2N7OS/c1-12-16(8-26)20(15-5-4-14(24)7-17(15)25)32-10-18(29-22(32)28-12)21(33)31-23-30-19(11-34-23)13-3-2-6-27-9-13/h2-7,9-11H,8,26H2,1H3,(H,30,31,33)
InChIKeyLLQGTCNVKSGYQG-UHFFFAOYSA-N
XLogP5.24
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.41
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide (CID 46900105) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is LLQGTCNVKSGYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N7OS/c1-12-16(8-26)20(15-5-4-14(24)7-17(15)25)32-10-18(29-22(32)28-12)21(33)31-23-30-19(11-34-23)13-3-2-6-27-9-13/h2-7,9-11H,8,26H2,1H3,(H,30,31,33).
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 510.41 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46900105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).