3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane

C67H77BCl5F2N17O14 — CID 157313152

IUPAC3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane
SMILESC1CCOC1.CCN(CC)CC.CO.COc1ncc(-n2ccc(N)n2)cc1Cl.COc1ncc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)cc1Cl.COc1ncc(-n2ccc([N+](=O)[O-])n2)cc1Cl.COc1ncc(B(O)O)cc1Cl.O=C(Cl)C1(c2ccccc2F)CC1.O=[N+]([O-])c1ccn[nH]1
InChIInChI=1S/C19H16ClFN4O2.C10H8ClFO.C9H7ClN4O3.C9H9ClN4O.C6H7BClNO3.C6H15N.C4H8O.C3H3N3O2.CH4O/c1-27-17-14(20)10-12(11-22-17)25-9-6-16(24-25)23-18(26)19(7-8-19)13-4-2-3-5-15(13)21;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;1-17-9-7(10)4-6(5-11-9)13-3-2-8(12-13)14(15)16;1-15-9-7(10)4-6(5-12-9)14-3-2-8(11)13-14;1-12-6-5(8)2-4(3-9-6)7(10)11;1-4-7(5-2)6-3;1-2-4-5-3-1;7-6(8)3-1-2-4-5-3;1-2/h2-6,9-11H,7-8H2,1H3,(H,23,24,26);1-4H,5-6H2;2-5H,1H3;2-5H,1H3,(H2,11,13);2-3,10-11H,1H3;4-6H2,1-3H3;1-4H2;1-2H,(H,4,5);2H,1H3
InChIKeyBDGRZAIODJRCLM-UHFFFAOYSA-N
MW1570.53 g/mol
LogP11.21
Rot. Bonds18

About 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane

3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane (PubChem CID 157313152) has the molecular formula C67H77BCl5F2N17O14 and a molecular weight of 1570.53 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane
PubChem CID157313152
Molecular FormulaC67H77BCl5F2N17O14
Molecular Weight1570.53 g/mol
Exact Mass1567.43
IUPAC Name3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane
SMILESC1CCOC1.CCN(CC)CC.CO.COc1ncc(-n2ccc(N)n2)cc1Cl.COc1ncc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)cc1Cl.COc1ncc(-n2ccc([N+](=O)[O-])n2)cc1Cl.COc1ncc(B(O)O)cc1Cl.O=C(Cl)C1(c2ccccc2F)CC1.O=[N+]([O-])c1ccn[nH]1
InChIInChI=1S/C19H16ClFN4O2.C10H8ClFO.C9H7ClN4O3.C9H9ClN4O.C6H7BClNO3.C6H15N.C4H8O.C3H3N3O2.CH4O/c1-27-17-14(20)10-12(11-22-17)25-9-6-16(24-25)23-18(26)19(7-8-19)13-4-2-3-5-15(13)21;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;1-17-9-7(10)4-6(5-11-9)13-3-2-8(12-13)14(15)16;1-15-9-7(10)4-6(5-12-9)14-3-2-8(11)13-14;1-12-6-5(8)2-4(3-9-6)7(10)11;1-4-7(5-2)6-3;1-2-4-5-3-1;7-6(8)3-1-2-4-5-3;1-2/h2-6,9-11H,7-8H2,1H3,(H,23,24,26);1-4H,5-6H2;2-5H,1H3;2-5H,1H3,(H2,11,13);2-3,10-11H,1H3;4-6H2,1-3H3;1-4H2;1-2H,(H,4,5);2H,1H3
InChIKeyBDGRZAIODJRCLM-UHFFFAOYSA-N
XLogP11.21
TPSA402.25 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001570.53
LogP ≤ 511.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane?
The IUPAC name of 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane (CID 157313152) is 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane.
What is the SMILES notation for 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane?
The canonical SMILES for 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane is C1CCOC1.CCN(CC)CC.CO.COc1ncc(-n2ccc(N)n2)cc1Cl.COc1ncc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)cc1Cl.COc1ncc(-n2ccc([N+](=O)[O-])n2)cc1Cl.COc1ncc(B(O)O)cc1Cl.O=C(Cl)C1(c2ccccc2F)CC1.O=[N+]([O-])c1ccn[nH]1.
What is the InChIKey of 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane?
The InChIKey is BDGRZAIODJRCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2.C10H8ClFO.C9H7ClN4O3.C9H9ClN4O.C6H7BClNO3.C6H15N.C4H8O.C3H3N3O2.CH4O/c1-27-17-14(20)10-12(11-22-17)25-9-6-16(24-25)23-18(26)19(7-8-19)13-4-2-3-5-15(13)21;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;1-17-9-7(10)4-6(5-11-9)13-3-2-8(12-13)14(15)16;1-15-9-7(10)4-6(5-12-9)14-3-2-8(11)13-14;1-12-6-5(8)2-4(3-9-6)7(10)11;1-4-7(5-2)6-3;1-2-4-5-3-1;7-6(8)3-1-2-4-5-3;1-2/h2-6,9-11H,7-8H2,1H3,(H,23,24,26);1-4H,5-6H2;2-5H,1H3;2-5H,1H3,(H2,11,13);2-3,10-11H,1H3;4-6H2,1-3H3;1-4H2;1-2H,(H,4,5);2H,1H3.
What are the key properties of 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane?
3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane has a molecular weight of 1570.53 g/mol, XLogP of 11.21, 18 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine;(5-chloro-6-methoxy-3-pyridinyl)boronic acid;1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-amine;N-[1-(5-chloro-6-methoxy-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;N,N-diethylethanamine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;methanol;5-nitro-1H-pyrazole;oxolane is sourced from PubChem (CID 157313152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).