3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride

C62H75ClF6N14O5 — CID 157245152

IUPAC3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride
SMILESCCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(C(F)(F)F)cc(C)[nH]c3=O)cc3c(-c4ccc(N)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(N)nc4)ccn23)CC1.Cc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C31H36F3N7O2.C23H29N5O2.C8H9F3N2O.ClH/c1-5-39-10-12-40(13-11-39)20(4)28-19(3)23(15-26-22(8-9-41(26)28)21-6-7-27(35)36-16-21)29(42)37-17-24-25(31(32,33)34)14-18(2)38-30(24)43;1-4-26-9-11-27(12-10-26)16(3)22-15(2)19(23(29)30)13-20-18(7-8-28(20)22)17-5-6-21(24)25-14-17;1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;/h6-9,14-16,20H,5,10-13,17H2,1-4H3,(H2,35,36)(H,37,42)(H,38,43);5-8,13-14,16H,4,9-12H2,1-3H3,(H2,24,25)(H,29,30);2H,3,12H2,1H3,(H,13,14);1H
InChIKeyADLRGKNRUWYWHL-UHFFFAOYSA-N
MW1245.82 g/mol
LogP9.41
Rot. Bonds13

About 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride

3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride (PubChem CID 157245152) has the molecular formula C62H75ClF6N14O5 and a molecular weight of 1245.82 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride
PubChem CID157245152
Molecular FormulaC62H75ClF6N14O5
Molecular Weight1245.82 g/mol
Exact Mass1244.56
IUPAC Name3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride
SMILESCCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(C(F)(F)F)cc(C)[nH]c3=O)cc3c(-c4ccc(N)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(N)nc4)ccn23)CC1.Cc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.Cl
InChIInChI=1S/C31H36F3N7O2.C23H29N5O2.C8H9F3N2O.ClH/c1-5-39-10-12-40(13-11-39)20(4)28-19(3)23(15-26-22(8-9-41(26)28)21-6-7-27(35)36-16-21)29(42)37-17-24-25(31(32,33)34)14-18(2)38-30(24)43;1-4-26-9-11-27(12-10-26)16(3)22-15(2)19(23(29)30)13-20-18(7-8-28(20)22)17-5-6-21(24)25-14-17;1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;/h6-9,14-16,20H,5,10-13,17H2,1-4H3,(H2,35,36)(H,37,42)(H,38,43);5-8,13-14,16H,4,9-12H2,1-3H3,(H2,24,25)(H,29,30);2H,3,12H2,1H3,(H,13,14);1H
InChIKeyADLRGKNRUWYWHL-UHFFFAOYSA-N
XLogP9.41
TPSA257.74 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001245.82
LogP ≤ 59.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride with MolForge

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Related Compounds

4-[[2-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-yl]-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]carbamoyl]benzoic acid
CID 66836905
4-[[2-[2-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)pyridin-4-yl]-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]carbamoyl]benzoic acid
CID 67127889
4-[[2-[2-[(1S,4S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridin-4-yl]-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]carbamoyl]benzoic acid
CID 67128220
2-[6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-4-yl]indolizine-7-carboxylic acid
CID 71143977
2-[6-[(3-Aminooxan-4-yl)amino]-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-4-yl]indolizine-7-carboxylic acid
CID 78033118
1-[2-(Dimethylamino)pyridin-4-yl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 134340708
6-Methyl-1-[6-(methylamino)pyridin-3-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 134340710
6-Methyl-1-[2-(methylamino)pyridin-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 134340730
6-Methyl-1-[6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridin-3-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 134340904
1-(6-Aminopyridin-3-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 134340970
N-[[6-[3-[7-acetyl-1-(6-amino-3-pyridinyl)-6-methylindolizin-5-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-4-methyl-2-oxo-1H-pyridin-3-yl]methyl]-1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 134340972
6-Methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 138733642

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride?
The IUPAC name of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride (CID 157245152) is 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride is CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(C(F)(F)F)cc(C)[nH]c3=O)cc3c(-c4ccc(N)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(N)nc4)ccn23)CC1.Cc1cc(C(F)(F)F)c(CN)c(=O)[nH]1.Cl.
What is the InChIKey of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride?
The InChIKey is ADLRGKNRUWYWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N7O2.C23H29N5O2.C8H9F3N2O.ClH/c1-5-39-10-12-40(13-11-39)20(4)28-19(3)23(15-26-22(8-9-41(26)28)21-6-7-27(35)36-16-21)29(42)37-17-24-25(31(32,33)34)14-18(2)38-30(24)43;1-4-26-9-11-27(12-10-26)16(3)22-15(2)19(23(29)30)13-20-18(7-8-28(20)22)17-5-6-21(24)25-14-17;1-4-2-6(8(9,10)11)5(3-12)7(14)13-4;/h6-9,14-16,20H,5,10-13,17H2,1-4H3,(H2,35,36)(H,37,42)(H,38,43);5-8,13-14,16H,4,9-12H2,1-3H3,(H2,24,25)(H,29,30);2H,3,12H2,1H3,(H,13,14);1H.
What are the key properties of 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride?
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride has a molecular weight of 1245.82 g/mol, XLogP of 9.41, 13 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride is sourced from PubChem (CID 157245152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).