1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

C72H84N14O3 — CID 158264000

IUPAC1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCN1CCN(C(=O)c2cc3cc(-c4cc(NCc5ccc(CN6CCCCC6)cc5)c5cnccc5n4)ccc3n2C)CC1.CN1CCNCC1.Cn1c(C(=O)O)cc2cc(-c3cc(NCc4ccc(CN5CCCCC5)cc4)c4cnccc4n3)ccc21
InChIInChI=1S/C36H41N7O.C31H31N5O2.C5H12N2/c1-40-16-18-43(19-17-40)36(44)35-21-29-20-28(10-11-34(29)41(35)2)32-22-33(30-24-37-13-12-31(30)39-32)38-23-26-6-8-27(9-7-26)25-42-14-4-3-5-15-42;1-35-29-10-9-23(15-24(29)16-30(35)31(37)38)27-17-28(25-19-32-12-11-26(25)34-27)33-18-21-5-7-22(8-6-21)20-36-13-3-2-4-14-36;1-7-4-2-6-3-5-7/h6-13,20-22,24H,3-5,14-19,23,25H2,1-2H3,(H,38,39);5-12,15-17,19H,2-4,13-14,18,20H2,1H3,(H,33,34)(H,37,38);6H,2-5H2,1H3
InChIKeyGIFGALSNYRWIQE-UHFFFAOYSA-N
MW1193.56 g/mol
LogP11.38
Rot. Bonds14

About 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid

1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (PubChem CID 158264000) has the molecular formula C72H84N14O3 and a molecular weight of 1193.56 g/mol. Its IUPAC name is 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
PubChem CID158264000
Molecular FormulaC72H84N14O3
Molecular Weight1193.56 g/mol
Exact Mass1192.69
IUPAC Name1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
SMILESCN1CCN(C(=O)c2cc3cc(-c4cc(NCc5ccc(CN6CCCCC6)cc5)c5cnccc5n4)ccc3n2C)CC1.CN1CCNCC1.Cn1c(C(=O)O)cc2cc(-c3cc(NCc4ccc(CN5CCCCC5)cc4)c4cnccc4n3)ccc21
InChIInChI=1S/C36H41N7O.C31H31N5O2.C5H12N2/c1-40-16-18-43(19-17-40)36(44)35-21-29-20-28(10-11-34(29)41(35)2)32-22-33(30-24-37-13-12-31(30)39-32)38-23-26-6-8-27(9-7-26)25-42-14-4-3-5-15-42;1-35-29-10-9-23(15-24(29)16-30(35)31(37)38)27-17-28(25-19-32-12-11-26(25)34-27)33-18-21-5-7-22(8-6-21)20-36-13-3-2-4-14-36;1-7-4-2-6-3-5-7/h6-13,20-22,24H,3-5,14-19,23,25H2,1-2H3,(H,38,39);5-12,15-17,19H,2-4,13-14,18,20H2,1H3,(H,33,34)(H,37,38);6H,2-5H2,1H3
InChIKeyGIFGALSNYRWIQE-UHFFFAOYSA-N
XLogP11.38
TPSA168.08 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.56
LogP ≤ 511.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid with MolForge

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Related Compounds

5-[[(3S)-3-[[3-cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]piperidine-3-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54582740
5-[[2-[[3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]-2-methyl-propanoyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54586606
5-[[1-[(3-Cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-1-methylindole-2-carboxylic acid
CID 71459285
5-[[2-[(3-Cyclopentyl-1-methyl-2-quinolin-6-ylindole-6-carbonyl)amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71461068
5-[[1-[(3-Cyclopentyl-1-methyl-2-quinolin-6-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-1-methylindole-2-carboxylic acid
CID 71462799
5-[[2-[[3-Cyclopentyl-1-methyl-2-(6-methyl-3-pyridinyl)indole-6-carbonyl]amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71462801
5-[[2-[(3-Cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carbonyl)amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71462803
4-[[2-[4-(Aminomethyl)cyclohexanecarbonyl]-3,3-dimethyl-5-quinolin-6-yl-1,4-dihydroisoquinoline-1-carbonyl]amino]benzoic acid
CID 129012574
7-[(2-fluorophenyl)methyl]-9-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-h]quinoline-8-carboxylic acid
CID 49773471
7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid
CID 166140213
6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-(quinolin-6-ylmethyl)indole-2-carboxylic acid
CID 58240827
6-fluoro-1-[(6-fluoroquinolin-8-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240900

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The IUPAC name of 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid (CID 158264000) is 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid.
What is the SMILES notation for 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The canonical SMILES for 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is CN1CCN(C(=O)c2cc3cc(-c4cc(NCc5ccc(CN6CCCCC6)cc5)c5cnccc5n4)ccc3n2C)CC1.CN1CCNCC1.Cn1c(C(=O)O)cc2cc(-c3cc(NCc4ccc(CN5CCCCC5)cc4)c4cnccc4n3)ccc21.
What is the InChIKey of 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
The InChIKey is GIFGALSNYRWIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N7O.C31H31N5O2.C5H12N2/c1-40-16-18-43(19-17-40)36(44)35-21-29-20-28(10-11-34(29)41(35)2)32-22-33(30-24-37-13-12-31(30)39-32)38-23-26-6-8-27(9-7-26)25-42-14-4-3-5-15-42;1-35-29-10-9-23(15-24(29)16-30(35)31(37)38)27-17-28(25-19-32-12-11-26(25)34-27)33-18-21-5-7-22(8-6-21)20-36-13-3-2-4-14-36;1-7-4-2-6-3-5-7/h6-13,20-22,24H,3-5,14-19,23,25H2,1-2H3,(H,38,39);5-12,15-17,19H,2-4,13-14,18,20H2,1H3,(H,33,34)(H,37,38);6H,2-5H2,1H3.
What are the key properties of 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid?
1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid has a molecular weight of 1193.56 g/mol, XLogP of 11.38, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine;(4-methylpiperazin-1-yl)-[1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indol-2-yl]methanone;1-methyl-5-[4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid is sourced from PubChem (CID 158264000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).