ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine

C106H121ClN22O7 — CID 158676673

IUPACethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine
SMILESCCOC(=O)c1cc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1C.CCOC(=O)c1cc2cc(-c3cc(NC4CCN(C)CC4)c4cnccc4n3)ccc2n1C.CN1CCC(N)CC1.CN1CCC(NC(=O)c2cc3cc(-c4cc(NC5CCN(C)CC5)c5cnccc5n4)ccc3n2C)CC1.CN1CCC(Nc2cc(-c3ccc4c(c3)cc(C(=O)O)n4C)nc3ccncc23)CC1
InChIInChI=1S/C30H37N7O.C26H29N5O2.C24H25N5O2.C20H16ClN3O2.C6H14N2/c1-35-12-7-22(8-13-35)32-27-18-26(34-25-6-11-31-19-24(25)27)20-4-5-28-21(16-20)17-29(37(28)3)30(38)33-23-9-14-36(2)15-10-23;1-4-33-26(32)25-14-18-13-17(5-6-24(18)31(25)3)22-15-23(20-16-27-10-7-21(20)29-22)28-19-8-11-30(2)12-9-19;1-28-9-6-17(7-10-28)26-21-13-20(27-19-5-8-25-14-18(19)21)15-3-4-22-16(11-15)12-23(24(30)31)29(22)2;1-3-26-20(25)19-9-13-8-12(4-5-18(13)24(19)2)17-10-15(21)14-11-22-7-6-16(14)23-17;1-8-4-2-6(7)3-5-8/h4-6,11,16-19,22-23H,7-10,12-15H2,1-3H3,(H,32,34)(H,33,38);5-7,10,13-16,19H,4,8-9,11-12H2,1-3H3,(H,28,29);3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H,26,27)(H,30,31);4-11H,3H2,1-2H3;6H,2-5,7H2,1H3
InChIKeyIEPLREDACNFTPJ-UHFFFAOYSA-N
MW1850.73 g/mol
LogP17.24
Rot. Bonds17

About ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine

ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine (PubChem CID 158676673) has the molecular formula C106H121ClN22O7 and a molecular weight of 1850.73 g/mol. Its IUPAC name is ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine.

Molecular Properties

Compound Nameethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine
PubChem CID158676673
Molecular FormulaC106H121ClN22O7
Molecular Weight1850.73 g/mol
Exact Mass1848.95
IUPAC Nameethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine
SMILESCCOC(=O)c1cc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1C.CCOC(=O)c1cc2cc(-c3cc(NC4CCN(C)CC4)c4cnccc4n3)ccc2n1C.CN1CCC(N)CC1.CN1CCC(NC(=O)c2cc3cc(-c4cc(NC5CCN(C)CC5)c5cnccc5n4)ccc3n2C)CC1.CN1CCC(Nc2cc(-c3ccc4c(c3)cc(C(=O)O)n4C)nc3ccncc23)CC1
InChIInChI=1S/C30H37N7O.C26H29N5O2.C24H25N5O2.C20H16ClN3O2.C6H14N2/c1-35-12-7-22(8-13-35)32-27-18-26(34-25-6-11-31-19-24(25)27)20-4-5-28-21(16-20)17-29(37(28)3)30(38)33-23-9-14-36(2)15-10-23;1-4-33-26(32)25-14-18-13-17(5-6-24(18)31(25)3)22-15-23(20-16-27-10-7-21(20)29-22)28-19-8-11-30(2)12-9-19;1-28-9-6-17(7-10-28)26-21-13-20(27-19-5-8-25-14-18(19)21)15-3-4-22-16(11-15)12-23(24(30)31)29(22)2;1-3-26-20(25)19-9-13-8-12(4-5-18(13)24(19)2)17-10-15(21)14-11-22-7-6-16(14)23-17;1-8-4-2-6(7)3-5-8/h4-6,11,16-19,22-23H,7-10,12-15H2,1-3H3,(H,32,34)(H,33,38);5-7,10,13-16,19H,4,8-9,11-12H2,1-3H3,(H,28,29);3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H,26,27)(H,30,31);4-11H,3H2,1-2H3;6H,2-5,7H2,1H3
InChIKeyIEPLREDACNFTPJ-UHFFFAOYSA-N
XLogP17.24
TPSA320.15 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001850.73
LogP ≤ 517.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine with MolForge

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Related Compounds

4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide
CID 135372458
N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide
CID 135372029
1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide
CID 135372487
1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid
CID 158355806
1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone
CID 157103187
2-(1-methylpiperidin-4-yl)-1-[4-[4-(oxan-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]ethanone
CID 158576875
4-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-1,6-naphthyridin-2-yl]benzoic acid
CID 142467377
(E)-N-(1-methylpiperidin-4-yl)-3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 135373118
ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate
CID 166442180
(E)-N-(1-methylpiperidin-4-yl)-3-[4-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 142467277
4-chloro-N-(1-methylpiperidin-4-yl)pyridin-3-amine
CID 83166896
5-piperidin-1-yl-1-[4-[4-(piperidin-4-ylamino)-1,6-naphthyridin-2-yl]phenyl]pentan-1-one
CID 160614517

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine?
The IUPAC name of ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine (CID 158676673) is ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine.
What is the SMILES notation for ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine?
The canonical SMILES for ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine is CCOC(=O)c1cc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1C.CCOC(=O)c1cc2cc(-c3cc(NC4CCN(C)CC4)c4cnccc4n3)ccc2n1C.CN1CCC(N)CC1.CN1CCC(NC(=O)c2cc3cc(-c4cc(NC5CCN(C)CC5)c5cnccc5n4)ccc3n2C)CC1.CN1CCC(Nc2cc(-c3ccc4c(c3)cc(C(=O)O)n4C)nc3ccncc23)CC1.
What is the InChIKey of ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine?
The InChIKey is IEPLREDACNFTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O.C26H29N5O2.C24H25N5O2.C20H16ClN3O2.C6H14N2/c1-35-12-7-22(8-13-35)32-27-18-26(34-25-6-11-31-19-24(25)27)20-4-5-28-21(16-20)17-29(37(28)3)30(38)33-23-9-14-36(2)15-10-23;1-4-33-26(32)25-14-18-13-17(5-6-24(18)31(25)3)22-15-23(20-16-27-10-7-21(20)29-22)28-19-8-11-30(2)12-9-19;1-28-9-6-17(7-10-28)26-21-13-20(27-19-5-8-25-14-18(19)21)15-3-4-22-16(11-15)12-23(24(30)31)29(22)2;1-3-26-20(25)19-9-13-8-12(4-5-18(13)24(19)2)17-10-15(21)14-11-22-7-6-16(14)23-17;1-8-4-2-6(7)3-5-8/h4-6,11,16-19,22-23H,7-10,12-15H2,1-3H3,(H,32,34)(H,33,38);5-7,10,13-16,19H,4,8-9,11-12H2,1-3H3,(H,28,29);3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H,26,27)(H,30,31);4-11H,3H2,1-2H3;6H,2-5,7H2,1H3.
What are the key properties of ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine?
ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine has a molecular weight of 1850.73 g/mol, XLogP of 17.24, 17 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine is sourced from PubChem (CID 158676673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).