deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane

C58H75FN8O6 — CID 158138550

IUPACdeuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane
SMILESC.Cc1c(C(=O)O)cc2c(-c3ccc(N(C)C)cc3)ccn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccc(N(C)C)cc4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.[2H]CF
InChIInChI=1S/C32H39N5O3.C24H29N3O3.CH3F.CH4/c1-20-17-21(2)34-32(39)28(20)19-33-31(38)27-18-29-26(24-7-9-25(10-8-24)35(5)6)11-12-37(29)30(22(27)3)23(4)36-13-15-40-16-14-36;1-16-21(24(28)29)15-22-20(18-5-7-19(8-6-18)25(3)4)9-10-27(22)23(16)17(2)26-11-13-30-14-12-26;1-2;/h7-12,17-18,23H,13-16,19H2,1-6H3,(H,33,38)(H,34,39);5-10,15,17H,11-14H2,1-4H3,(H,28,29);1H3;1H4/i;;1D;
InChIKeyFTQSCVWKHUTEOZ-XZVVQQHRSA-N
MW1000.29 g/mol
LogP9.90
Rot. Bonds12

About deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane

deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane (PubChem CID 158138550) has the molecular formula C58H75FN8O6 and a molecular weight of 1000.29 g/mol. Its IUPAC name is deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane.

Molecular Properties

Compound Namedeuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane
PubChem CID158138550
Molecular FormulaC58H75FN8O6
Molecular Weight1000.29 g/mol
Exact Mass999.59
IUPAC Namedeuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane
SMILESC.Cc1c(C(=O)O)cc2c(-c3ccc(N(C)C)cc3)ccn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccc(N(C)C)cc4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.[2H]CF
InChIInChI=1S/C32H39N5O3.C24H29N3O3.CH3F.CH4/c1-20-17-21(2)34-32(39)28(20)19-33-31(38)27-18-29-26(24-7-9-25(10-8-24)35(5)6)11-12-37(29)30(22(27)3)23(4)36-13-15-40-16-14-36;1-16-21(24(28)29)15-22-20(18-5-7-19(8-6-18)25(3)4)9-10-27(22)23(16)17(2)26-11-13-30-14-12-26;1-2;/h7-12,17-18,23H,13-16,19H2,1-6H3,(H,33,38)(H,34,39);5-10,15,17H,11-14H2,1-4H3,(H,28,29);1H3;1H4/i;;1D;
InChIKeyFTQSCVWKHUTEOZ-XZVVQQHRSA-N
XLogP9.90
TPSA139.50 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001000.29
LogP ≤ 59.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane?
The IUPAC name of deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane (CID 158138550) is deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane.
What is the SMILES notation for deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane?
The canonical SMILES for deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane is C.Cc1c(C(=O)O)cc2c(-c3ccc(N(C)C)cc3)ccn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4ccc(N(C)C)cc4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane?
The InChIKey is FTQSCVWKHUTEOZ-XZVVQQHRSA-N. The full InChI is InChI=1S/C32H39N5O3.C24H29N3O3.CH3F.CH4/c1-20-17-21(2)34-32(39)28(20)19-33-31(38)27-18-29-26(24-7-9-25(10-8-24)35(5)6)11-12-37(29)30(22(27)3)23(4)36-13-15-40-16-14-36;1-16-21(24(28)29)15-22-20(18-5-7-19(8-6-18)25(3)4)9-10-27(22)23(16)17(2)26-11-13-30-14-12-26;1-2;/h7-12,17-18,23H,13-16,19H2,1-6H3,(H,33,38)(H,34,39);5-10,15,17H,11-14H2,1-4H3,(H,28,29);1H3;1H4/i;;1D;.
What are the key properties of deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane?
deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane has a molecular weight of 1000.29 g/mol, XLogP of 9.90, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;1-[4-(dimethylamino)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;1-[4-(dimethylamino)phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane is sourced from PubChem (CID 158138550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).