4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide

C23H24N6O — CID 142199413

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nccc(-c2c(-c3ccc(C)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C23H24N6O/c1-15-5-7-17(8-6-15)20-21(18-9-11-25-22(26-18)23(30)24-2)29-12-10-16(14-28(3)4)13-19(29)27-20/h5-13H,14H2,1-4H3,(H,24,30)
InChIKeyGJTYAWOIVRISKP-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.19
Rot. Bonds5

About 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide

4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide (PubChem CID 142199413) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide
PubChem CID142199413
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nccc(-c2c(-c3ccc(C)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C23H24N6O/c1-15-5-7-17(8-6-15)20-21(18-9-11-25-22(26-18)23(30)24-2)29-12-10-16(14-28(3)4)13-19(29)27-20/h5-13H,14H2,1-4H3,(H,24,30)
InChIKeyGJTYAWOIVRISKP-UHFFFAOYSA-N
XLogP3.19
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide (CID 142199413) is 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide is CNC(=O)c1nccc(-c2c(-c3ccc(C)cc3)nc3cc(CN(C)C)ccn23)n1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide?
The InChIKey is GJTYAWOIVRISKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-15-5-7-17(8-6-15)20-21(18-9-11-25-22(26-18)23(30)24-2)29-12-10-16(14-28(3)4)13-19(29)27-20/h5-13H,14H2,1-4H3,(H,24,30).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide?
4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 142199413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).