N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

C28H34N6O3 — CID 156907497

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cnn(C)c3)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C28H34N6O3/c1-17-10-18(2)31-28(36)25(17)14-29-27(35)24-12-23-11-21(22-13-30-32(5)15-22)16-34(23)26(19(24)3)20(4)33-6-8-37-9-7-33/h10-13,15-16,20,25H,6-9,14H2,1-5H3,(H,29,35)
InChIKeyFLLIQORXZVSRCR-UHFFFAOYSA-N
MW502.62 g/mol
LogP3.33
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 156907497) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
PubChem CID156907497
Molecular FormulaC28H34N6O3
Molecular Weight502.62 g/mol
Exact Mass502.27
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cnn(C)c3)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C28H34N6O3/c1-17-10-18(2)31-28(36)25(17)14-29-27(35)24-12-23-11-21(22-13-30-32(5)15-22)16-34(23)26(19(24)3)20(4)33-6-8-37-9-7-33/h10-13,15-16,20,25H,6-9,14H2,1-5H3,(H,29,35)
InChIKeyFLLIQORXZVSRCR-UHFFFAOYSA-N
XLogP3.33
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 156907497) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cnn(C)c3)cn2c(C(C)N2CCOCC2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The InChIKey is FLLIQORXZVSRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-17-10-18(2)31-28(36)25(17)14-29-27(35)24-12-23-11-21(22-13-30-32(5)15-22)16-34(23)26(19(24)3)20(4)33-6-8-37-9-7-33/h10-13,15-16,20,25H,6-9,14H2,1-5H3,(H,29,35).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).