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

C28H34N6O4 — CID 156907582

IUPACN-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCOC1=NC(=O)C(CNC(=O)c2cc3c(-c4cncn4C)ccn3c(C(C)N3CCOCC3)c2C)C(C)=C1
InChIInChI=1S/C28H34N6O4/c1-17-12-25(37-5)31-28(36)22(17)14-30-27(35)21-13-23-20(24-15-29-16-32(24)4)6-7-34(23)26(18(21)2)19(3)33-8-10-38-11-9-33/h6-7,12-13,15-16,19,22H,8-11,14H2,1-5H3,(H,30,35)
InChIKeyPGBKKDIHYWEAGG-UHFFFAOYSA-N
MW518.62 g/mol
LogP2.92
Rot. Bonds6

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

N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 156907582) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
PubChem CID156907582
Molecular FormulaC28H34N6O4
Molecular Weight518.62 g/mol
Exact Mass518.26
IUPAC NameN-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
SMILESCOC1=NC(=O)C(CNC(=O)c2cc3c(-c4cncn4C)ccn3c(C(C)N3CCOCC3)c2C)C(C)=C1
InChIInChI=1S/C28H34N6O4/c1-17-12-25(37-5)31-28(36)22(17)14-30-27(35)21-13-23-20(24-15-29-16-32(24)4)6-7-34(23)26(18(21)2)19(3)33-8-10-38-11-9-33/h6-7,12-13,15-16,19,22H,8-11,14H2,1-5H3,(H,30,35)
InChIKeyPGBKKDIHYWEAGG-UHFFFAOYSA-N
XLogP2.92
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The IUPAC name of N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 156907582) is N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The canonical SMILES for N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is COC1=NC(=O)C(CNC(=O)c2cc3c(-c4cncn4C)ccn3c(C(C)N3CCOCC3)c2C)C(C)=C1.
What is the InChIKey of N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
The InChIKey is PGBKKDIHYWEAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4/c1-17-12-25(37-5)31-28(36)22(17)14-30-27(35)21-13-23-20(24-15-29-16-32(24)4)6-7-34(23)26(18(21)2)19(3)33-8-10-38-11-9-33/h6-7,12-13,15-16,19,22H,8-11,14H2,1-5H3,(H,30,35).
What are the key properties of N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?
N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).