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

C27H31N5O4S — CID 138733528

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C27H31N5O4S/c1-16-9-23(35-4)22(27(34)30-16)12-29-26(33)21-11-20-10-19(24-13-28-15-37-24)14-32(20)25(17(21)2)18(3)31-5-7-36-8-6-31/h9-11,13-15,18H,5-8,12H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyYPMDBWJNGPDXFS-UHFFFAOYSA-N
MW521.64 g/mol
LogP3.70
Rot. Bonds7

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide (PubChem CID 138733528) has the molecular formula C27H31N5O4S and a molecular weight of 521.64 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide
PubChem CID138733528
Molecular FormulaC27H31N5O4S
Molecular Weight521.64 g/mol
Exact Mass521.21
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C27H31N5O4S/c1-16-9-23(35-4)22(27(34)30-16)12-29-26(33)21-11-20-10-19(24-13-28-15-37-24)14-32(20)25(17(21)2)18(3)31-5-7-36-8-6-31/h9-11,13-15,18H,5-8,12H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyYPMDBWJNGPDXFS-UHFFFAOYSA-N
XLogP3.70
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.64
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide (CID 138733528) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCOCC2)c1C.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide?
The InChIKey is YPMDBWJNGPDXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4S/c1-16-9-23(35-4)22(27(34)30-16)12-29-26(33)21-11-20-10-19(24-13-28-15-37-24)14-32(20)25(17(21)2)18(3)31-5-7-36-8-6-31/h9-11,13-15,18H,5-8,12H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide has a molecular weight of 521.64 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide is sourced from PubChem (CID 138733528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).