3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen

C59H80N12O7 — CID 158751279

IUPAC3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen
SMILESC.CCn1nccc1-c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.CCn1nccc1-c1cc2cc(C(=O)O)c(C)c(C(C)N3CCOCC3)n2c1.Cc1cc(C)c(CN)c(=O)[nH]1.[H][H]
InChIInChI=1S/C29H36N6O3.C21H26N4O3.C8H12N2O.CH4.H2/c1-6-35-26(7-8-31-35)22-14-23-15-24(28(36)30-16-25-18(2)13-19(3)32-29(25)37)20(4)27(34(23)17-22)21(5)33-9-11-38-12-10-33;1-4-25-19(5-6-22-25)16-11-17-12-18(21(26)27)14(2)20(24(17)13-16)15(3)23-7-9-28-10-8-23;1-5-3-6(2)10-8(11)7(5)4-9;;/h7-8,13-15,17,21H,6,9-12,16H2,1-5H3,(H,30,36)(H,32,37);5-6,11-13,15H,4,7-10H2,1-3H3,(H,26,27);3H,4,9H2,1-2H3,(H,10,11);1H4;1H
InChIKeyINMYNPYVXWDEHH-UHFFFAOYSA-N
MW1069.37 g/mol
LogP8.31
Rot. Bonds13

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen (PubChem CID 158751279) has the molecular formula C59H80N12O7 and a molecular weight of 1069.37 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen.

Molecular Properties

Compound Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen
PubChem CID158751279
Molecular FormulaC59H80N12O7
Molecular Weight1069.37 g/mol
Exact Mass1068.63
IUPAC Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen
SMILESC.CCn1nccc1-c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.CCn1nccc1-c1cc2cc(C(=O)O)c(C)c(C(C)N3CCOCC3)n2c1.Cc1cc(C)c(CN)c(=O)[nH]1.[H][H]
InChIInChI=1S/C29H36N6O3.C21H26N4O3.C8H12N2O.CH4.H2/c1-6-35-26(7-8-31-35)22-14-23-15-24(28(36)30-16-25-18(2)13-19(3)32-29(25)37)20(4)27(34(23)17-22)21(5)33-9-11-38-12-10-33;1-4-25-19(5-6-22-25)16-11-17-12-18(21(26)27)14(2)20(24(17)13-16)15(3)23-7-9-28-10-8-23;1-5-3-6(2)10-8(11)7(5)4-9;;/h7-8,13-15,17,21H,6,9-12,16H2,1-5H3,(H,30,36)(H,32,37);5-6,11-13,15H,4,7-10H2,1-3H3,(H,26,27);3H,4,9H2,1-2H3,(H,10,11);1H4;1H
InChIKeyINMYNPYVXWDEHH-UHFFFAOYSA-N
XLogP8.31
TPSA227.54 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms78
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.37
LogP ≤ 58.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen?
The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen (CID 158751279) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen.
What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen?
The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen is C.CCn1nccc1-c1cc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(C(C)N3CCOCC3)n2c1.CCn1nccc1-c1cc2cc(C(=O)O)c(C)c(C(C)N3CCOCC3)n2c1.Cc1cc(C)c(CN)c(=O)[nH]1.[H][H].
What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen?
The InChIKey is INMYNPYVXWDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3.C21H26N4O3.C8H12N2O.CH4.H2/c1-6-35-26(7-8-31-35)22-14-23-15-24(28(36)30-16-25-18(2)13-19(3)32-29(25)37)20(4)27(34(23)17-22)21(5)33-9-11-38-12-10-33;1-4-25-19(5-6-22-25)16-11-17-12-18(21(26)27)14(2)20(24(17)13-16)15(3)23-7-9-28-10-8-23;1-5-3-6(2)10-8(11)7(5)4-9;;/h7-8,13-15,17,21H,6,9-12,16H2,1-5H3,(H,30,36)(H,32,37);5-6,11-13,15H,4,7-10H2,1-3H3,(H,26,27);3H,4,9H2,1-2H3,(H,10,11);1H4;1H.
What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen?
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen has a molecular weight of 1069.37 g/mol, XLogP of 8.31, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(2-ethylpyrazol-3-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;methane;molecular hydrogen is sourced from PubChem (CID 158751279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).