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

C58H79ClN16O7 — CID 159294316

IUPAC4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
SMILESCCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(OC)n(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.COc1c(CN)c(=O)[nH]n1C.Cl
InChIInChI=1S/C29H38N8O3.C23H29N5O2.C6H11N3O2.ClH/c1-6-35-11-13-36(14-12-35)19(3)26-18(2)22(27(38)32-17-23-28(39)33-34(4)29(23)40-5)15-24-21(9-10-37(24)26)20-7-8-25(30)31-16-20;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;1-9-6(11-2)4(3-7)5(10)8-9;/h7-10,15-16,19H,6,11-14,17H2,1-5H3,(H2,30,31)(H,32,38)(H,33,39);5-8,13-14,16H,4,9-12H2,1-3H3,(H2,24,25)(H,29,30);3,7H2,1-2H3,(H,8,10);1H
InChIKeyOQTNKBGFWXUCSJ-UHFFFAOYSA-N
MW1147.83 g/mol
LogP5.45
Rot. Bonds15

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

4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride (PubChem CID 159294316) has the molecular formula C58H79ClN16O7 and a molecular weight of 1147.83 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
PubChem CID159294316
Molecular FormulaC58H79ClN16O7
Molecular Weight1147.83 g/mol
Exact Mass1146.60
IUPAC Name4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
SMILESCCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(OC)n(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.COc1c(CN)c(=O)[nH]n1C.Cl
InChIInChI=1S/C29H38N8O3.C23H29N5O2.C6H11N3O2.ClH/c1-6-35-11-13-36(14-12-35)19(3)26-18(2)22(27(38)32-17-23-28(39)33-34(4)29(23)40-5)15-24-21(9-10-37(24)26)20-7-8-25(30)31-16-20;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;1-9-6(11-2)4(3-7)5(10)8-9;/h7-10,15-16,19H,6,11-14,17H2,1-5H3,(H2,30,31)(H,32,38)(H,33,39);5-8,13-14,16H,4,9-12H2,1-3H3,(H2,24,25)(H,29,30);3,7H2,1-2H3,(H,8,10);1H
InChIKeyOQTNKBGFWXUCSJ-UHFFFAOYSA-N
XLogP5.45
TPSA286.06 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001147.83
LogP ≤ 55.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

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

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Related Compounds

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-3-pyridinyl)-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 175336964
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 175336896
6-methyl-1-(2-methylpyrimidin-5-yl)-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 175336965
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1R)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 139395070
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 139395092
1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;ethene;propane
CID 142300877
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(3,5-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733657
2-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733420
1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 142754848
6-methyl-1-[4-(methylamino)phenyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 139311539
6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 175337049
6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 134340752

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride?
The IUPAC name of 4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride (CID 159294316) is 4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride is CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(OC)n(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.COc1c(CN)c(=O)[nH]n1C.Cl.
What is the InChIKey of 4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride?
The InChIKey is OQTNKBGFWXUCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O3.C23H29N5O2.C6H11N3O2.ClH/c1-6-35-11-13-36(14-12-35)19(3)26-18(2)22(27(38)32-17-23-28(39)33-34(4)29(23)40-5)15-24-21(9-10-37(24)26)20-7-8-25(30)31-16-20;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;1-9-6(11-2)4(3-7)5(10)8-9;/h7-10,15-16,19H,6,11-14,17H2,1-5H3,(H2,30,31)(H,32,38)(H,33,39);5-8,13-14,16H,4,9-12H2,1-3H3,(H2,24,25)(H,29,30);3,7H2,1-2H3,(H,8,10);1H.
What are the key properties of 4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride?
4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride has a molecular weight of 1147.83 g/mol, XLogP of 5.45, 15 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methoxy-2-methyl-1H-pyrazol-5-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(3-methoxy-2-methyl-5-oxo-1H-pyrazol-4-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 159294316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).