5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

C21H28N6O — CID 129333242

IUPAC5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2Cc2cn3c(C)cc(C)nc3n2)n1C
InChIInChI=1S/C21H28N6O/c1-14-11-15(2)27-13-16(24-21(27)23-14)12-26-10-6-5-7-18(26)17-8-9-19(25(17)4)20(28)22-3/h8-9,11,13,18H,5-7,10,12H2,1-4H3,(H,22,28)/t18-/m1/s1
InChIKeyFJFHHVJGAQKPLU-GOSISDBHSA-N
MW380.50 g/mol
LogP2.77
Rot. Bonds4

About 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 129333242) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID129333242
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2Cc2cn3c(C)cc(C)nc3n2)n1C
InChIInChI=1S/C21H28N6O/c1-14-11-15(2)27-13-16(24-21(27)23-14)12-26-10-6-5-7-18(26)17-8-9-19(25(17)4)20(28)22-3/h8-9,11,13,18H,5-7,10,12H2,1-4H3,(H,22,28)/t18-/m1/s1
InChIKeyFJFHHVJGAQKPLU-GOSISDBHSA-N
XLogP2.77
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 129333242) is 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1ccc([C@H]2CCCCN2Cc2cn3c(C)cc(C)nc3n2)n1C.
What is the InChIKey of 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is FJFHHVJGAQKPLU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N6O/c1-14-11-15(2)27-13-16(24-21(27)23-14)12-26-10-6-5-7-18(26)17-8-9-19(25(17)4)20(28)22-3/h8-9,11,13,18H,5-7,10,12H2,1-4H3,(H,22,28)/t18-/m1/s1.
What are the key properties of 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 129333242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).