6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid

C70H62ClN19O5 — CID 159219609

IUPAC6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid
SMILESCC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cccnc3c2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cccnc3c2)n1.O=C(Cl)c1ccc2cccnc2c1.O=C(O)c1ccc2cccnc2c1
InChIInChI=1S/2C20H18N6O.C10H6ClNO.C10H13N5.C10H7NO2/c2*1-13(2)26-12-22-25-19(26)16-6-3-7-18(23-16)24-20(27)15-9-8-14-5-4-10-21-17(14)11-15;11-10(13)8-4-3-7-2-1-5-12-9(7)6-8;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h2*3-13H,1-2H3,(H,23,24,27);1-6H;3-7H,1-2H3,(H2,11,13);1-6H,(H,12,13)
InChIKeyKRNBORZDDJFTMW-UHFFFAOYSA-N
MW1284.85 g/mol
LogP13.49
Rot. Bonds12

About 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid

6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid (PubChem CID 159219609) has the molecular formula C70H62ClN19O5 and a molecular weight of 1284.85 g/mol. Its IUPAC name is 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid.

Molecular Properties

Compound Name6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid
PubChem CID159219609
Molecular FormulaC70H62ClN19O5
Molecular Weight1284.85 g/mol
Exact Mass1283.49
IUPAC Name6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid
SMILESCC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cccnc3c2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cccnc3c2)n1.O=C(Cl)c1ccc2cccnc2c1.O=C(O)c1ccc2cccnc2c1
InChIInChI=1S/2C20H18N6O.C10H6ClNO.C10H13N5.C10H7NO2/c2*1-13(2)26-12-22-25-19(26)16-6-3-7-18(23-16)24-20(27)15-9-8-14-5-4-10-21-17(14)11-15;11-10(13)8-4-3-7-2-1-5-12-9(7)6-8;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h2*3-13H,1-2H3,(H,23,24,27);1-6H;3-7H,1-2H3,(H2,11,13);1-6H,(H,12,13)
InChIKeyKRNBORZDDJFTMW-UHFFFAOYSA-N
XLogP13.49
TPSA320.95 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001284.85
LogP ≤ 513.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl 4-[[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate;1-methylpiperazine;3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline;1-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[1-methyl-5-[2-(piperidin-4-ylamino)quinazolin-6-yl]pyrazol-3-yl]urea;(4-methylpiperazin-1-yl)-[3-nitro-5-(trifluoromethyl)phenyl]methanone;3-nitro-5-(trifluoromethyl)benzoic acid;3-nitro-5-(trifluoromethyl)benzoyl chloride
CID 157917973
5-[3-(4-Methyl-1,2,4-triazol-3-yl)anilino]benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57877066
6-bromoisoquinoline-3-carbonyl chloride;6-bromoisoquinoline-3-carboxylic acid;bis(6-bromo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide);6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 157359119
5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxamide);2-[[3-chloro-8-(2H-tetrazol-5-yl)quinolin-6-yl]methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
CID 158680984
5-(4-Cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine
CID 158687372
4-Boronobenzoic acid;6-chloroimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-ylbenzoic acid;[4-(3-iodoimidazo[1,2-b]pyridazin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;1-methylpiperazine
CID 158961728
isoquinoline-3-carbonyl chloride;isoquinoline-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-3-carboxamide)
CID 159013884
5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 159367588
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]benzamide;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine
CID 159420200
CID 159615385
CID 159615385
bis(2-butyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);2-chloro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide;propan-1-amine
CID 159813550
5-anilinobenzo[c][2,6]naphthyridine-8-carboxylic acid;N',N'-dimethyl-N-[8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine;8-(2H-tetrazol-5-yl)-6H-benzo[c][2,6]naphthyridin-5-one
CID 160162938

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid?
The IUPAC name of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid (CID 159219609) is 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid.
What is the SMILES notation for 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid?
The canonical SMILES for 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid is CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cccnc3c2)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3cccnc3c2)n1.O=C(Cl)c1ccc2cccnc2c1.O=C(O)c1ccc2cccnc2c1.
What is the InChIKey of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid?
The InChIKey is KRNBORZDDJFTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18N6O.C10H6ClNO.C10H13N5.C10H7NO2/c2*1-13(2)26-12-22-25-19(26)16-6-3-7-18(23-16)24-20(27)15-9-8-14-5-4-10-21-17(14)11-15;11-10(13)8-4-3-7-2-1-5-12-9(7)6-8;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;12-10(13)8-4-3-7-2-1-5-11-9(7)6-8/h2*3-13H,1-2H3,(H,23,24,27);1-6H;3-7H,1-2H3,(H2,11,13);1-6H,(H,12,13).
What are the key properties of 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid?
6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid has a molecular weight of 1284.85 g/mol, XLogP of 13.49, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;bis(N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinoline-7-carboxamide);quinoline-7-carbonyl chloride;quinoline-7-carboxylic acid is sourced from PubChem (CID 159219609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).