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

C30H36N6O3S — CID 156907507

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3nc4c(s3)CNCC4)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C30H36N6O3S/c1-17-11-18(2)33-29(38)24(17)14-32-28(37)23-13-22-12-21(30-34-25-5-6-31-15-26(25)40-30)16-36(22)27(19(23)3)20(4)35-7-9-39-10-8-35/h11-13,16,20,24,31H,5-10,14-15H2,1-4H3,(H,32,37)
InChIKeyZEZBXESSQBVCSA-UHFFFAOYSA-N
MW560.72 g/mol
LogP3.70
Rot. Bonds6

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide (PubChem CID 156907507) has the molecular formula C30H36N6O3S and a molecular weight of 560.72 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide
PubChem CID156907507
Molecular FormulaC30H36N6O3S
Molecular Weight560.72 g/mol
Exact Mass560.26
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3nc4c(s3)CNCC4)cn2c(C(C)N2CCOCC2)c1C
InChIInChI=1S/C30H36N6O3S/c1-17-11-18(2)33-29(38)24(17)14-32-28(37)23-13-22-12-21(30-34-25-5-6-31-15-26(25)40-30)16-36(22)27(19(23)3)20(4)35-7-9-39-10-8-35/h11-13,16,20,24,31H,5-10,14-15H2,1-4H3,(H,32,37)
InChIKeyZEZBXESSQBVCSA-UHFFFAOYSA-N
XLogP3.70
TPSA100.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.72
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-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide (CID 156907507) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3nc4c(s3)CNCC4)cn2c(C(C)N2CCOCC2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide?
The InChIKey is ZEZBXESSQBVCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O3S/c1-17-11-18(2)33-29(38)24(17)14-32-28(37)23-13-22-12-21(30-34-25-5-6-31-15-26(25)40-30)16-36(22)27(19(23)3)20(4)35-7-9-39-10-8-35/h11-13,16,20,24,31H,5-10,14-15H2,1-4H3,(H,32,37).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide has a molecular weight of 560.72 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide is sourced from PubChem (CID 156907507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).