(6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine

C88H83BCl5N39O16 — CID 162043848

IUPAC(6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine
SMILESCB(O)n1[nH]c(=O)c2ccc(N)cc21.Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1ccc(Cl)nc1Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1ccc(Nc2cc(C3CC3)[nH]n2)nc1Cl.O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)[nH]n4)n3)ccc12
InChIInChI=1S/2C18H16N8O3.3C11H10ClN5O2.C8H10BN3O2.C6H9N3.C5H2Cl2N2O2/c2*27-18-11-4-3-10(7-13(11)23-25-18)19-15-6-5-14(26(28)29)17(20-15)21-16-8-12(22-24-16)9-1-2-9;12-11-8(17(18)19)3-4-9(14-11)13-10-5-7(15-16-10)6-1-2-6;2*12-9-4-3-8(17(18)19)11(13-9)14-10-5-7(15-16-10)6-1-2-6;1-9(14)12-7-4-5(10)2-3-6(7)8(13)11-12;7-6-3-5(8-9-6)4-1-2-4;6-4-2-1-3(9(10)11)5(7)8-4/h2*3-9H,1-2H2,(H2,23,25,27)(H3,19,20,21,22,24);3*3-6H,1-2H2,(H2,13,14,15,16);2-4,14H,10H2,1H3,(H,11,13);3-4H,1-2H2,(H3,7,8,9);1-2H
InChIKeyYXQFJVOPLSEPQT-UHFFFAOYSA-N
MW2130.97 g/mol
LogP18.49
Rot. Bonds27

About (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine

(6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine (PubChem CID 162043848) has the molecular formula C88H83BCl5N39O16 and a molecular weight of 2130.97 g/mol. Its IUPAC name is (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine.

Molecular Properties

Compound Name(6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine
PubChem CID162043848
Molecular FormulaC88H83BCl5N39O16
Molecular Weight2130.97 g/mol
Exact Mass2127.54
IUPAC Name(6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine
SMILESCB(O)n1[nH]c(=O)c2ccc(N)cc21.Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1ccc(Cl)nc1Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1ccc(Nc2cc(C3CC3)[nH]n2)nc1Cl.O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)[nH]n4)n3)ccc12
InChIInChI=1S/2C18H16N8O3.3C11H10ClN5O2.C8H10BN3O2.C6H9N3.C5H2Cl2N2O2/c2*27-18-11-4-3-10(7-13(11)23-25-18)19-15-6-5-14(26(28)29)17(20-15)21-16-8-12(22-24-16)9-1-2-9;12-11-8(17(18)19)3-4-9(14-11)13-10-5-7(15-16-10)6-1-2-6;2*12-9-4-3-8(17(18)19)11(13-9)14-10-5-7(15-16-10)6-1-2-6;1-9(14)12-7-4-5(10)2-3-6(7)8(13)11-12;7-6-3-5(8-9-6)4-1-2-4;6-4-2-1-3(9(10)11)5(7)8-4/h2*3-9H,1-2H2,(H2,23,25,27)(H3,19,20,21,22,24);3*3-6H,1-2H2,(H2,13,14,15,16);2-4,14H,10H2,1H3,(H,11,13);3-4H,1-2H2,(H3,7,8,9);1-2H
InChIKeyYXQFJVOPLSEPQT-UHFFFAOYSA-N
XLogP18.49
TPSA799.83 Ų
H-Bond Donors21
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002130.97
LogP ≤ 518.49
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine with MolForge

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Launch Full Analysis

Related Compounds

6-[[5-amino-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one;6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one;4,6-dichloro-5-nitropyrimidine
CID 157595487
(6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one;2,6-dichloro-3-nitropyridine
CID 159957623
6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyrimidin-4-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]-1,2-dihydroindazol-3-one);4,6-dichloro-5-nitropyrimidine
CID 160887440
6-[[4-(2-chlorophenyl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-iodo-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[6-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrido[3,2-d]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one;6-[[2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]quinazolin-4-yl]amino]-1,2-dihydroindazol-3-one
CID 161286619

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine?
The IUPAC name of (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine (CID 162043848) is (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine.
What is the SMILES notation for (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine?
The canonical SMILES for (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine is CB(O)n1[nH]c(=O)c2ccc(N)cc21.Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1ccc(Cl)nc1Cl.O=[N+]([O-])c1ccc(Cl)nc1Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1ccc(Cl)nc1Nc1cc(C2CC2)[nH]n1.O=[N+]([O-])c1ccc(Nc2cc(C3CC3)[nH]n2)nc1Cl.O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.O=c1[nH][nH]c2cc(Nc3ccc([N+](=O)[O-])c(Nc4cc(C5CC5)[nH]n4)n3)ccc12.
What is the InChIKey of (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine?
The InChIKey is YXQFJVOPLSEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16N8O3.3C11H10ClN5O2.C8H10BN3O2.C6H9N3.C5H2Cl2N2O2/c2*27-18-11-4-3-10(7-13(11)23-25-18)19-15-6-5-14(26(28)29)17(20-15)21-16-8-12(22-24-16)9-1-2-9;12-11-8(17(18)19)3-4-9(14-11)13-10-5-7(15-16-10)6-1-2-6;2*12-9-4-3-8(17(18)19)11(13-9)14-10-5-7(15-16-10)6-1-2-6;1-9(14)12-7-4-5(10)2-3-6(7)8(13)11-12;7-6-3-5(8-9-6)4-1-2-4;6-4-2-1-3(9(10)11)5(7)8-4/h2*3-9H,1-2H2,(H2,23,25,27)(H3,19,20,21,22,24);3*3-6H,1-2H2,(H2,13,14,15,16);2-4,14H,10H2,1H3,(H,11,13);3-4H,1-2H2,(H3,7,8,9);1-2H.
What are the key properties of (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine?
(6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine has a molecular weight of 2130.97 g/mol, XLogP of 18.49, 27 rotatable bonds, 21 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-oxo-2H-indazol-1-yl)-methylborinic acid;bis(6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitropyridin-2-amine);6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-nitropyridin-2-amine;5-cyclopropyl-1H-pyrazol-3-amine;bis(6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one);2,6-dichloro-3-nitropyridine is sourced from PubChem (CID 162043848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).