8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine

C81H98Cl6N22O8 — CID 162217915

IUPAC8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine
SMILESC.CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CCOC(=O)c1cnc2ccc(Cl)nc2c1NC1CCN(C)CC1.CN1CCC(N)CC1.CN1CCC(Nc2c(C(=O)O)cnc3ccc(Cl)nc23)CC1.CN1CCC(n2c(=O)[nH]c3cnc4ccc(Cl)nc4c32)CC1.CN1CCC(n2c(=O)n(C)c3cnc4ccc(Cl)nc4c32)CC1
InChIInChI=1S/C17H21ClN4O2.C16H18ClN5O.C15H16ClN5O.C15H17ClN4O2.C11H8Cl2N2O2.C6H14N2.CH4/c1-3-24-17(23)12-10-19-13-4-5-14(18)21-16(13)15(12)20-11-6-8-22(2)9-7-11;1-20-7-5-10(6-8-20)22-15-12(21(2)16(22)23)9-18-11-3-4-13(17)19-14(11)15;1-20-6-4-9(5-7-20)21-14-11(18-15(21)22)8-17-10-2-3-12(16)19-13(10)14;1-20-6-4-9(5-7-20)18-13-10(15(21)22)8-17-11-2-3-12(16)19-14(11)13;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;1-8-4-2-6(7)3-5-8;/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20);3-4,9-10H,5-8H2,1-2H3;2-3,8-9H,4-7H2,1H3,(H,18,22);2-3,8-9H,4-7H2,1H3,(H,17,18)(H,21,22);3-5H,2H2,1H3;6H,2-5,7H2,1H3;1H4
InChIKeyZTSKLTMSXRFIOL-UHFFFAOYSA-N
MW1720.54 g/mol
LogP13.64
Rot. Bonds11

About 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine

8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine (PubChem CID 162217915) has the molecular formula C81H98Cl6N22O8 and a molecular weight of 1720.54 g/mol. Its IUPAC name is 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine.

Molecular Properties

Compound Name8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine
PubChem CID162217915
Molecular FormulaC81H98Cl6N22O8
Molecular Weight1720.54 g/mol
Exact Mass1716.61
IUPAC Name8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine
SMILESC.CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CCOC(=O)c1cnc2ccc(Cl)nc2c1NC1CCN(C)CC1.CN1CCC(N)CC1.CN1CCC(Nc2c(C(=O)O)cnc3ccc(Cl)nc23)CC1.CN1CCC(n2c(=O)[nH]c3cnc4ccc(Cl)nc4c32)CC1.CN1CCC(n2c(=O)n(C)c3cnc4ccc(Cl)nc4c32)CC1
InChIInChI=1S/C17H21ClN4O2.C16H18ClN5O.C15H16ClN5O.C15H17ClN4O2.C11H8Cl2N2O2.C6H14N2.CH4/c1-3-24-17(23)12-10-19-13-4-5-14(18)21-16(13)15(12)20-11-6-8-22(2)9-7-11;1-20-7-5-10(6-8-20)22-15-12(21(2)16(22)23)9-18-11-3-4-13(17)19-14(11)15;1-20-6-4-9(5-7-20)21-14-11(18-15(21)22)8-17-10-2-3-12(16)19-13(10)14;1-20-6-4-9(5-7-20)18-13-10(15(21)22)8-17-11-2-3-12(16)19-14(11)13;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;1-8-4-2-6(7)3-5-8;/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20);3-4,9-10H,5-8H2,1-2H3;2-3,8-9H,4-7H2,1H3,(H,18,22);2-3,8-9H,4-7H2,1H3,(H,17,18)(H,21,22);3-5H,2H2,1H3;6H,2-5,7H2,1H3;1H4
InChIKeyZTSKLTMSXRFIOL-UHFFFAOYSA-N
XLogP13.64
TPSA349.80 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001720.54
LogP ≤ 513.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine with MolForge

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Related Compounds

Tert-butyl 4-[(6-chloro-3-formyl-1,5-naphthyridin-4-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[6-chloro-3-(hydroxymethyl)-1,5-naphthyridin-4-yl]amino]piperidine-1-carboxylate;dioxomanganese
CID 157072585
3-chloro-4-fluorobenzoic acid;3-chloro-4-fluoro-N-methylbenzamide;3-chloro-N-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;3-chloro-N-methyl-4-piperazin-1-ylbenzamide;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 157130467
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
CID 157338670
3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-5-chloro-1H-pyrrolo[3,2-b]pyridine-7-carbaldehyde;3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-5-chloro-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 157378939
CID 157487542
CID 157487542
6-Chloro-4-(3-methylanilino)-1,5-naphthyridine-3-carboxylic acid;ethyl 6-chloro-4-(3-methylanilino)-1,5-naphthyridine-3-carboxylate
CID 157878120
Cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate
CID 158243940
2-(4-aminophenyl)-2-methylpropanenitrile;4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[4-(2-cyanopropan-2-yl)anilino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;iodomethane;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;2-methyl-2-[4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile;quinolin-3-ylboronic acid
CID 158306522
Ethyl 6-chloro-4-(3-methylanilino)-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate
CID 158331021
3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 158363022
benzyl 4-aminopiperidine-1-carboxylate;benzyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;benzyl 4-(2-oxo-8-quinolin-3-yl-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate;ethyl 4-chloro-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;ethyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylate;3-methyl-1-piperidin-4-yl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one;4-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-6-quinolin-3-yl-1,5-naphthyridine-3-carboxylic acid
CID 158543183
4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride
CID 159285515

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine?
The IUPAC name of 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine (CID 162217915) is 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine.
What is the SMILES notation for 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine?
The canonical SMILES for 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine is C.CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CCOC(=O)c1cnc2ccc(Cl)nc2c1NC1CCN(C)CC1.CN1CCC(N)CC1.CN1CCC(Nc2c(C(=O)O)cnc3ccc(Cl)nc23)CC1.CN1CCC(n2c(=O)[nH]c3cnc4ccc(Cl)nc4c32)CC1.CN1CCC(n2c(=O)n(C)c3cnc4ccc(Cl)nc4c32)CC1.
What is the InChIKey of 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine?
The InChIKey is ZTSKLTMSXRFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2.C16H18ClN5O.C15H16ClN5O.C15H17ClN4O2.C11H8Cl2N2O2.C6H14N2.CH4/c1-3-24-17(23)12-10-19-13-4-5-14(18)21-16(13)15(12)20-11-6-8-22(2)9-7-11;1-20-7-5-10(6-8-20)22-15-12(21(2)16(22)23)9-18-11-3-4-13(17)19-14(11)15;1-20-6-4-9(5-7-20)21-14-11(18-15(21)22)8-17-10-2-3-12(16)19-13(10)14;1-20-6-4-9(5-7-20)18-13-10(15(21)22)8-17-11-2-3-12(16)19-14(11)13;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;1-8-4-2-6(7)3-5-8;/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20);3-4,9-10H,5-8H2,1-2H3;2-3,8-9H,4-7H2,1H3,(H,18,22);2-3,8-9H,4-7H2,1H3,(H,17,18)(H,21,22);3-5H,2H2,1H3;6H,2-5,7H2,1H3;1H4.
What are the key properties of 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine?
8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine has a molecular weight of 1720.54 g/mol, XLogP of 13.64, 11 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one;6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane;1-methylpiperidin-4-amine is sourced from PubChem (CID 162217915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).