4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one

C82H89ClN27O8+ — CID 161166984

IUPAC4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one
SMILESCC(C)CNc1c(N)cnc2cccnc12.CC(C)CNc1c([N+](=O)[O-])cnc2cccnc12.Cc1nc2c(N)nc3cccnc3c2n1CC(C)C.Cc1nc2c[n+](O)c3cccnc3c2n1CC(C)C.Cc1nc2cnc3cccnc3c2n1CC(C)C.O=[N+]([O-])c1cnc2cccnc2c1Cl.O=c1c([N+](=O)[O-])c[nH]c2cccnc12
InChIInChI=1S/C14H17N5.C14H17N4O.C14H16N4.C12H14N4O2.C12H16N4.C8H4ClN3O2.C8H5N3O3/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11;1-9(2)7-17-10(3)16-11-8-18(19)12-5-4-6-15-13(12)14(11)17;1-9(2)8-18-10(3)17-12-7-16-11-5-4-6-15-13(11)14(12)18;1-8(2)6-15-12-10(16(17)18)7-14-9-4-3-5-13-11(9)12;1-8(2)6-16-11-9(13)7-15-10-4-3-5-14-12(10)11;9-7-6(12(13)14)4-11-5-2-1-3-10-8(5)7;12-8-6(11(13)14)4-10-5-2-1-3-9-7(5)8/h4-6,8H,7H2,1-3H3,(H2,15,18);4-6,8-9,19H,7H2,1-3H3;4-7,9H,8H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H,14,15);3-5,7-8H,6,13H2,1-2H3,(H,15,16);1-4H;1-4H,(H,10,12)/q;+1;;;;;
InChIKeyUQRCGIREOOQLTF-UHFFFAOYSA-N
MW1616.25 g/mol
LogP15.45
Rot. Bonds15

About 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one

4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one (PubChem CID 161166984) has the molecular formula C82H89ClN27O8+ and a molecular weight of 1616.25 g/mol. Its IUPAC name is 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one
PubChem CID161166984
Molecular FormulaC82H89ClN27O8+
Molecular Weight1616.25 g/mol
Exact Mass1614.71
IUPAC Name4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one
SMILESCC(C)CNc1c(N)cnc2cccnc12.CC(C)CNc1c([N+](=O)[O-])cnc2cccnc12.Cc1nc2c(N)nc3cccnc3c2n1CC(C)C.Cc1nc2c[n+](O)c3cccnc3c2n1CC(C)C.Cc1nc2cnc3cccnc3c2n1CC(C)C.O=[N+]([O-])c1cnc2cccnc2c1Cl.O=c1c([N+](=O)[O-])c[nH]c2cccnc12
InChIInChI=1S/C14H17N5.C14H17N4O.C14H16N4.C12H14N4O2.C12H16N4.C8H4ClN3O2.C8H5N3O3/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11;1-9(2)7-17-10(3)16-11-8-18(19)12-5-4-6-15-13(12)14(11)17;1-9(2)8-18-10(3)17-12-7-16-11-5-4-6-15-13(11)14(12)18;1-8(2)6-15-12-10(16(17)18)7-14-9-4-3-5-13-11(9)12;1-8(2)6-16-11-9(13)7-15-10-4-3-5-14-12(10)11;9-7-6(12(13)14)4-11-5-2-1-3-10-8(5)7;12-8-6(11(13)14)4-10-5-2-1-3-9-7(5)8/h4-6,8H,7H2,1-3H3,(H2,15,18);4-6,8-9,19H,7H2,1-3H3;4-7,9H,8H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H,14,15);3-5,7-8H,6,13H2,1-2H3,(H,15,16);1-4H;1-4H,(H,10,12)/q;+1;;;;;
InChIKeyUQRCGIREOOQLTF-UHFFFAOYSA-N
XLogP15.45
TPSA470.63 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001616.25
LogP ≤ 515.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(3-amino-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-imidazo[4,5-c]pyridin-1-ylpiperidine-1-carboxylate;tert-butyl 4-[(3-nitro-4-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-(5-oxidoimidazo[4,5-c]pyridin-5-ium-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate;4-chloro-3-nitropyridine;1-piperidin-4-yl-5H-imidazo[4,5-c]pyridin-4-one
CID 159870310
4-chloro-3-nitro-1,5-naphthyridine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;1-(2-methylpropyl)-5-oxidoimidazo[4,5-c][1,5]naphthyridin-5-ium;3-nitro-1H-1,5-naphthyridin-4-one
CID 162015728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one?
The IUPAC name of 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one (CID 161166984) is 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one.
What is the SMILES notation for 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one?
The canonical SMILES for 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one is CC(C)CNc1c(N)cnc2cccnc12.CC(C)CNc1c([N+](=O)[O-])cnc2cccnc12.Cc1nc2c(N)nc3cccnc3c2n1CC(C)C.Cc1nc2c[n+](O)c3cccnc3c2n1CC(C)C.Cc1nc2cnc3cccnc3c2n1CC(C)C.O=[N+]([O-])c1cnc2cccnc2c1Cl.O=c1c([N+](=O)[O-])c[nH]c2cccnc12.
What is the InChIKey of 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one?
The InChIKey is UQRCGIREOOQLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5.C14H17N4O.C14H16N4.C12H14N4O2.C12H16N4.C8H4ClN3O2.C8H5N3O3/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11;1-9(2)7-17-10(3)16-11-8-18(19)12-5-4-6-15-13(12)14(11)17;1-9(2)8-18-10(3)17-12-7-16-11-5-4-6-15-13(11)14(12)18;1-8(2)6-15-12-10(16(17)18)7-14-9-4-3-5-13-11(9)12;1-8(2)6-16-11-9(13)7-15-10-4-3-5-14-12(10)11;9-7-6(12(13)14)4-11-5-2-1-3-10-8(5)7;12-8-6(11(13)14)4-10-5-2-1-3-9-7(5)8/h4-6,8H,7H2,1-3H3,(H2,15,18);4-6,8-9,19H,7H2,1-3H3;4-7,9H,8H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H,14,15);3-5,7-8H,6,13H2,1-2H3,(H,15,16);1-4H;1-4H,(H,10,12)/q;+1;;;;;.
What are the key properties of 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one?
4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one has a molecular weight of 1616.25 g/mol, XLogP of 15.45, 15 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-1,5-naphthyridine;5-hydroxy-2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-5-ium;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine;4-N-(2-methylpropyl)-1,5-naphthyridine-3,4-diamine;N-(2-methylpropyl)-3-nitro-1,5-naphthyridin-4-amine;3-nitro-1H-1,5-naphthyridin-4-one is sourced from PubChem (CID 161166984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).