N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide

C28H32N4O4 — CID 121450936

IUPACN-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cccc(COC)c2)cc2c(C(C)C)ncn12
InChIInChI=1S/C28H32N4O4/c1-6-36-25-10-18(4)31-27(33)22(25)14-29-28(34)24-13-21(20-9-7-8-19(11-20)15-35-5)12-23-26(17(2)3)30-16-32(23)24/h7-13,16-17H,6,14-15H2,1-5H3,(H,29,34)(H,31,33)
InChIKeyIWMAZIFUXXCSGZ-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.60
Rot. Bonds9

About N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide

N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 121450936) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
PubChem CID121450936
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cccc(COC)c2)cc2c(C(C)C)ncn12
InChIInChI=1S/C28H32N4O4/c1-6-36-25-10-18(4)31-27(33)22(25)14-29-28(34)24-13-21(20-9-7-8-19(11-20)15-35-5)12-23-26(17(2)3)30-16-32(23)24/h7-13,16-17H,6,14-15H2,1-5H3,(H,29,34)(H,31,33)
InChIKeyIWMAZIFUXXCSGZ-UHFFFAOYSA-N
XLogP4.60
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (CID 121450936) is N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is CCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cccc(COC)c2)cc2c(C(C)C)ncn12.
What is the InChIKey of N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is IWMAZIFUXXCSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-6-36-25-10-18(4)31-27(33)22(25)14-29-28(34)24-13-21(20-9-7-8-19(11-20)15-35-5)12-23-26(17(2)3)30-16-32(23)24/h7-13,16-17H,6,14-15H2,1-5H3,(H,29,34)(H,31,33).
What are the key properties of N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[3-(methoxymethyl)phenyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 121450936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).