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

C26H32N4O5 — CID 138733486

IUPACmethyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate
SMILESCOC(=O)c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1
InChIInChI=1S/C26H32N4O5/c1-15-10-16(2)28-25(32)22(15)13-27-24(31)21-12-20-11-19(26(33)34-5)14-30(20)23(17(21)3)18(4)29-6-8-35-9-7-29/h10-12,14,18H,6-9,13H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyAGJVOZMPBVCPLQ-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.66
Rot. Bonds6

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

methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate (PubChem CID 138733486) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate
PubChem CID138733486
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Namemethyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate
SMILESCOC(=O)c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1
InChIInChI=1S/C26H32N4O5/c1-15-10-16(2)28-25(32)22(15)13-27-24(31)21-12-20-11-19(26(33)34-5)14-30(20)23(17(21)3)18(4)29-6-8-35-9-7-29/h10-12,14,18H,6-9,13H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyAGJVOZMPBVCPLQ-UHFFFAOYSA-N
XLogP2.66
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?
The IUPAC name of methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate (CID 138733486) is methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate.
What is the SMILES notation for methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?
The canonical SMILES for methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate is COC(=O)c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.
What is the InChIKey of methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?
The InChIKey is AGJVOZMPBVCPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-15-10-16(2)28-25(32)22(15)13-27-24(31)21-12-20-11-19(26(33)34-5)14-30(20)23(17(21)3)18(4)29-6-8-35-9-7-29/h10-12,14,18H,6-9,13H2,1-5H3,(H,27,31)(H,28,32).
What are the key properties of methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate?
methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate has a molecular weight of 480.57 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylate is sourced from PubChem (CID 138733486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).