ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate

C21H22N8O2 — CID 45484844

IUPACethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1cn2c(-c3nccc(C)n3)cc(-c3cnc(N(C)C)nc3)cc2n1
InChIInChI=1S/C21H22N8O2/c1-5-31-21(30)27-17-12-29-16(19-22-7-6-13(2)25-19)8-14(9-18(29)26-17)15-10-23-20(24-11-15)28(3)4/h6-12H,5H2,1-4H3,(H,27,30)
InChIKeyRIPLRMVSSHSJMY-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.19
Rot. Bonds5

About ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate

ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate (PubChem CID 45484844) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate
PubChem CID45484844
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Nameethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1cn2c(-c3nccc(C)n3)cc(-c3cnc(N(C)C)nc3)cc2n1
InChIInChI=1S/C21H22N8O2/c1-5-31-21(30)27-17-12-29-16(19-22-7-6-13(2)25-19)8-14(9-18(29)26-17)15-10-23-20(24-11-15)28(3)4/h6-12H,5H2,1-4H3,(H,27,30)
InChIKeyRIPLRMVSSHSJMY-UHFFFAOYSA-N
XLogP3.19
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate (CID 45484844) is ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate is CCOC(=O)Nc1cn2c(-c3nccc(C)n3)cc(-c3cnc(N(C)C)nc3)cc2n1.
What is the InChIKey of ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate?
The InChIKey is RIPLRMVSSHSJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2/c1-5-31-21(30)27-17-12-29-16(19-22-7-6-13(2)25-19)8-14(9-18(29)26-17)15-10-23-20(24-11-15)28(3)4/h6-12H,5H2,1-4H3,(H,27,30).
What are the key properties of ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate?
ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate has a molecular weight of 418.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[7-[2-(dimethylamino)pyrimidin-5-yl]-5-(4-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 45484844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).