4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane

C87H99Cl5N20O12 — CID 159730189

IUPAC4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane
SMILESC.CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1.Cn1c(=O)n(C2CCC(O)CC2)c2c3nc(Cl)ccc3ncc21.NC1CCC(O)CC1.O=C(O)c1cnc2ccc(Cl)nc2c1NC1CCC(O)CC1.O=c1[nH]c2cnc3ccc(Cl)nc3c2n1C1CCC(O)CC1
InChIInChI=1S/C23H26N6O2.C16H17ClN4O2.C15H15ClN4O2.C15H16ClN3O3.C11H8Cl2N2O2.C6H13NO.CH4/c1-27(2)20-11-4-14(12-25-20)17-9-10-18-21(26-17)22-19(13-24-18)28(3)23(31)29(22)15-5-7-16(30)8-6-15;1-20-12-8-18-11-6-7-13(17)19-14(11)15(12)21(16(20)23)9-2-4-10(22)5-3-9;16-12-6-5-10-13(19-12)14-11(7-17-10)18-15(22)20(14)8-1-3-9(21)4-2-8;16-12-6-5-11-14(19-12)13(10(7-17-11)15(21)22)18-8-1-3-9(20)4-2-8;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;7-5-1-3-6(8)4-2-5;/h4,9-13,15-16,30H,5-8H2,1-3H3;6-10,22H,2-5H2,1H3;5-9,21H,1-4H2,(H,18,22);5-9,20H,1-4H2,(H,17,18)(H,21,22);3-5H,2H2,1H3;5-6,8H,1-4,7H2;1H4
InChIKeyNBDJJTVBXLWSML-UHFFFAOYSA-N
MW1794.14 g/mol
LogP14.40
Rot. Bonds10

About 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane

4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane (PubChem CID 159730189) has the molecular formula C87H99Cl5N20O12 and a molecular weight of 1794.14 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane.

Molecular Properties

Compound Name4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane
PubChem CID159730189
Molecular FormulaC87H99Cl5N20O12
Molecular Weight1794.14 g/mol
Exact Mass1790.62
IUPAC Name4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane
SMILESC.CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1.Cn1c(=O)n(C2CCC(O)CC2)c2c3nc(Cl)ccc3ncc21.NC1CCC(O)CC1.O=C(O)c1cnc2ccc(Cl)nc2c1NC1CCC(O)CC1.O=c1[nH]c2cnc3ccc(Cl)nc3c2n1C1CCC(O)CC1
InChIInChI=1S/C23H26N6O2.C16H17ClN4O2.C15H15ClN4O2.C15H16ClN3O3.C11H8Cl2N2O2.C6H13NO.CH4/c1-27(2)20-11-4-14(12-25-20)17-9-10-18-21(26-17)22-19(13-24-18)28(3)23(31)29(22)15-5-7-16(30)8-6-15;1-20-12-8-18-11-6-7-13(17)19-14(11)15(12)21(16(20)23)9-2-4-10(22)5-3-9;16-12-6-5-10-13(19-12)14-11(7-17-10)18-15(22)20(14)8-1-3-9(21)4-2-8;16-12-6-5-11-14(19-12)13(10(7-17-11)15(21)22)18-8-1-3-9(20)4-2-8;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;7-5-1-3-6(8)4-2-5;/h4,9-13,15-16,30H,5-8H2,1-3H3;6-10,22H,2-5H2,1H3;5-9,21H,1-4H2,(H,18,22);5-9,20H,1-4H2,(H,17,18)(H,21,22);3-5H,2H2,1H3;5-6,8H,1-4,7H2;1H4
InChIKeyNBDJJTVBXLWSML-UHFFFAOYSA-N
XLogP14.40
TPSA439.48 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001794.14
LogP ≤ 514.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane?
The IUPAC name of 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane (CID 159730189) is 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane.
What is the SMILES notation for 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane?
The canonical SMILES for 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane is C.CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCC(O)CC2)c(=O)n4C)cn1.Cn1c(=O)n(C2CCC(O)CC2)c2c3nc(Cl)ccc3ncc21.NC1CCC(O)CC1.O=C(O)c1cnc2ccc(Cl)nc2c1NC1CCC(O)CC1.O=c1[nH]c2cnc3ccc(Cl)nc3c2n1C1CCC(O)CC1.
What is the InChIKey of 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane?
The InChIKey is NBDJJTVBXLWSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2.C16H17ClN4O2.C15H15ClN4O2.C15H16ClN3O3.C11H8Cl2N2O2.C6H13NO.CH4/c1-27(2)20-11-4-14(12-25-20)17-9-10-18-21(26-17)22-19(13-24-18)28(3)23(31)29(22)15-5-7-16(30)8-6-15;1-20-12-8-18-11-6-7-13(17)19-14(11)15(12)21(16(20)23)9-2-4-10(22)5-3-9;16-12-6-5-10-13(19-12)14-11(7-17-10)18-15(22)20(14)8-1-3-9(21)4-2-8;16-12-6-5-11-14(19-12)13(10(7-17-11)15(21)22)18-8-1-3-9(20)4-2-8;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;7-5-1-3-6(8)4-2-5;/h4,9-13,15-16,30H,5-8H2,1-3H3;6-10,22H,2-5H2,1H3;5-9,21H,1-4H2,(H,18,22);5-9,20H,1-4H2,(H,17,18)(H,21,22);3-5H,2H2,1H3;5-6,8H,1-4,7H2;1H4.
What are the key properties of 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane?
4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane has a molecular weight of 1794.14 g/mol, XLogP of 14.40, 10 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexan-1-ol;6-chloro-4-[(4-hydroxycyclohexyl)amino]-1,5-naphthyridine-3-carboxylic acid;8-chloro-1-(4-hydroxycyclohexyl)-3H-imidazo[4,5-c][1,5]naphthyridin-2-one;8-chloro-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;8-[6-(dimethylamino)-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate;methane is sourced from PubChem (CID 159730189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).