N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane

C32H42N6O3S — CID 142300564

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane (PubChem CID 142300564) has the molecular formula C32H42N6O3S and a molecular weight of 590.79 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane
• PubChem CID: 142300564
• Molecular Formula: C32H42N6O3S
• Molecular Weight: 590.79 g/mol
• Exact Mass: 590.30
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane
• SMILES: CC.CCC.Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccn[nH]4)ccn3c(C(C)OCc3nccs3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C27H28N6O3S.C3H8.C2H6/c1-15-11-16(2)31-27(35)21(15)13-29-26(34)20-12-23-19(22-5-7-30-32-22)6-9-33(23)25(17(20)3)18(4)36-14-24-28-8-10-37-24;1-3-2;1-2/h5-12,18H,13-14H2,1-4H3,(H,29,34)(H,30,32)(H,31,35);3H2,1-2H3;1-2H3
• InChIKey: YFDVLQHWCRIPSX-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 117.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.79
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane (CID 142300564) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane is CC.CCC.Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccn[nH]4)ccn3c(C(C)OCc3nccs3)c2C)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane?

The InChIKey is YFDVLQHWCRIPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3S.C3H8.C2H6/c1-15-11-16(2)31-27(35)21(15)13-29-26(34)20-12-23-19(22-5-7-30-32-22)6-9-33(23)25(17(20)3)18(4)36-14-24-28-8-10-37-24;1-3-2;1-2/h5-12,18H,13-14H2,1-4H3,(H,29,34)(H,30,32)(H,31,35);3H2,1-2H3;1-2H3.

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane has a molecular weight of 590.79 g/mol, XLogP of 7.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazol-5-yl)-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide;ethane;propane is sourced from PubChem (CID 142300564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).