sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide — IUPAC name, SMILES, InChIKey & properties

Name: sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide

sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide (PubChem CID 160546371) has the molecular formula C84H103Br4ClFN13NaO10- and a molecular weight of 1852.89 g/mol. Its IUPAC name is sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide.

Molecular Properties

Compound Name	sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide
PubChem CID	160546371
Molecular Formula	C84H103Br4ClFN13NaO10-
Molecular Weight	1852.89 g/mol
Exact Mass	1847.43
IUPAC Name	sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide
SMILES	CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(Br)cn12)C1CCOCC1.CCN(c1c(C)c(OC=O)cc2cc(Br)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.[2H]CF.[C-]#[N+]c1cc2cc(Br)cn2c(CC2CCOCC2)c1C.[C-]#[N+]c1cc2cc(Br)cn2c(N(CC)C2CCOCC2)c1C.[Na+].[OH-]
InChI	InChI=1S/C25H31BrN4O3.C17H20BrN3O.C17H21BrN2O3.C16H17BrN2O.C8H10ClN2O.CH3F.Na.H2O/c1-5-29(19-6-8-33-9-7-19)25-17(4)21(12-20-11-18(26)14-30(20)25)23(31)27-13-22-15(2)10-16(3)28-24(22)32;1-4-20(14-5-7-22-8-6-14)17-12(2)16(19-3)10-15-9-13(18)11-21(15)17;1-3-19(14-4-6-22-7-5-14)17-12(2)16(23-11-21)9-15-8-13(18)10-20(15)17;1-11-15(18-2)9-14-8-13(17)10-19(14)16(11)7-12-3-5-20-6-4-12;1-5-3-6(2)11-8(12)7(5)4-10-9;1-2;;/h10-12,14,19H,5-9,13H2,1-4H3,(H,27,31)(H,28,32);9-11,14H,4-8H2,1-2H3;8-11,14H,3-7H2,1-2H3;8-10,12H,3-7H2,1H3;3H,4H2,1-2H3,(H,11,12);1H3;;1H2/q;;;;-1;;+1;/p-1/i;;;;;1D;;
InChIKey	QXMFUXCZDXCMFM-RLGPSGOWSA-M
XLogP	16.33
TPSA	238.22 Å²
H-Bond Donors	3
H-Bond Acceptors	17
Rotatable Bonds	18
Heavy Atoms	114
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.89
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide?

The IUPAC name of sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide (CID 160546371) is sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide.

What is the SMILES notation for sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide?

The canonical SMILES for sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide is CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(Br)cn12)C1CCOCC1.CCN(c1c(C)c(OC=O)cc2cc(Br)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.[2H]CF.[C-]#[N+]c1cc2cc(Br)cn2c(CC2CCOCC2)c1C.[C-]#[N+]c1cc2cc(Br)cn2c(N(CC)C2CCOCC2)c1C.[Na+].[OH-].

What is the InChIKey of sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide?

The InChIKey is QXMFUXCZDXCMFM-RLGPSGOWSA-M. The full InChI is InChI=1S/C25H31BrN4O3.C17H20BrN3O.C17H21BrN2O3.C16H17BrN2O.C8H10ClN2O.CH3F.Na.H2O/c1-5-29(19-6-8-33-9-7-19)25-17(4)21(12-20-11-18(26)14-30(20)25)23(31)27-13-22-15(2)10-16(3)28-24(22)32;1-4-20(14-5-7-22-8-6-14)17-12(2)16(19-3)10-15-9-13(18)11-21(15)17;1-3-19(14-4-6-22-7-5-14)17-12(2)16(23-11-21)9-15-8-13(18)10-20(15)17;1-11-15(18-2)9-14-8-13(17)10-19(14)16(11)7-12-3-5-20-6-4-12;1-5-3-6(2)11-8(12)7(5)4-10-9;1-2;;/h10-12,14,19H,5-9,13H2,1-4H3,(H,27,31)(H,28,32);9-11,14H,4-8H2,1-2H3;8-11,14H,3-7H2,1-2H3;8-10,12H,3-7H2,1H3;3H,4H2,1-2H3,(H,11,12);1H3;;1H2/q;;;;-1;;+1;/p-1/i;;;;;1D;;.

What are the key properties of sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide?

Where does this data come from?

All data for sodium;2-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methylindolizine-7-carboxamide;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;[2-bromo-5-[ethyl(oxan-4-yl)amino]-6-methylindolizin-7-yl] formate;2-bromo-7-isocyano-6-methyl-5-(oxan-4-ylmethyl)indolizine;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;deuterio(fluoro)methane;hydroxide is sourced from PubChem (CID 160546371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).