4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine

C93H77BClIN18O11 — CID 157170449

IUPAC4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine
SMILESIC1=NCc2ccccc21.NCc1ccncc1.Nc1ccc(-c2n[nH]c3ccccc23)cc1.O=C(Cl)Oc1ccccc1.O=C(NCc1ccncc1)Nc1ccc(-c2n[nH]c3ccccc23)cc1.O=C(Nc1ccc(-c2n[nH]c3ccccc23)cc1)Oc1ccccc1.O=[N+]([O-])c1ccc(-c2n[nH]c3ccccc23)cc1.O=[N+]([O-])c1ccc(B(O)O)cc1
InChIInChI=1S/C20H17N5O.C20H15N3O2.C13H9N3O2.C13H11N3.C8H6IN.C7H5ClO2.C6H6BNO4.C6H8N2/c26-20(22-13-14-9-11-21-12-10-14)23-16-7-5-15(6-8-16)19-17-3-1-2-4-18(17)24-25-19;24-20(25-16-6-2-1-3-7-16)21-15-12-10-14(11-13-15)19-17-8-4-5-9-18(17)22-23-19;17-16(18)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14-15-13;14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13;9-8-7-4-2-1-3-6(7)5-10-8;8-7(9)10-6-4-2-1-3-5-6;9-7(10)5-1-3-6(4-2-5)8(11)12;7-5-6-1-3-8-4-2-6/h1-12H,13H2,(H,24,25)(H2,22,23,26);1-13H,(H,21,24)(H,22,23);1-8H,(H,14,15);1-8H,14H2,(H,15,16);1-4H,5H2;1-5H;1-4,9-10H;1-4H,5,7H2
InChIKeyANKDGOWLJUMAKF-UHFFFAOYSA-N
MW1795.92 g/mol
LogP19.36
Rot. Bonds14

About 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine

4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine (PubChem CID 157170449) has the molecular formula C93H77BClIN18O11 and a molecular weight of 1795.92 g/mol. Its IUPAC name is 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine.

Molecular Properties

Compound Name4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine
PubChem CID157170449
Molecular FormulaC93H77BClIN18O11
Molecular Weight1795.92 g/mol
Exact Mass1794.48
IUPAC Name4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine
SMILESIC1=NCc2ccccc21.NCc1ccncc1.Nc1ccc(-c2n[nH]c3ccccc23)cc1.O=C(Cl)Oc1ccccc1.O=C(NCc1ccncc1)Nc1ccc(-c2n[nH]c3ccccc23)cc1.O=C(Nc1ccc(-c2n[nH]c3ccccc23)cc1)Oc1ccccc1.O=[N+]([O-])c1ccc(-c2n[nH]c3ccccc23)cc1.O=[N+]([O-])c1ccc(B(O)O)cc1
InChIInChI=1S/C20H17N5O.C20H15N3O2.C13H9N3O2.C13H11N3.C8H6IN.C7H5ClO2.C6H6BNO4.C6H8N2/c26-20(22-13-14-9-11-21-12-10-14)23-16-7-5-15(6-8-16)19-17-3-1-2-4-18(17)24-25-19;24-20(25-16-6-2-1-3-7-16)21-15-12-10-14(11-13-15)19-17-8-4-5-9-18(17)22-23-19;17-16(18)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14-15-13;14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13;9-8-7-4-2-1-3-6(7)5-10-8;8-7(9)10-6-4-2-1-3-5-6;9-7(10)5-1-3-6(4-2-5)8(11)12;7-5-6-1-3-8-4-2-6/h1-12H,13H2,(H,24,25)(H2,22,23,26);1-13H,(H,21,24)(H,22,23);1-8H,(H,14,15);1-8H,14H2,(H,15,16);1-4H,5H2;1-5H;1-4,9-10H;1-4H,5,7H2
InChIKeyANKDGOWLJUMAKF-UHFFFAOYSA-N
XLogP19.36
TPSA437.40 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001795.92
LogP ≤ 519.36
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine 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 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine?
The IUPAC name of 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine (CID 157170449) is 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine.
What is the SMILES notation for 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine?
The canonical SMILES for 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine is IC1=NCc2ccccc21.NCc1ccncc1.Nc1ccc(-c2n[nH]c3ccccc23)cc1.O=C(Cl)Oc1ccccc1.O=C(NCc1ccncc1)Nc1ccc(-c2n[nH]c3ccccc23)cc1.O=C(Nc1ccc(-c2n[nH]c3ccccc23)cc1)Oc1ccccc1.O=[N+]([O-])c1ccc(-c2n[nH]c3ccccc23)cc1.O=[N+]([O-])c1ccc(B(O)O)cc1.
What is the InChIKey of 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine?
The InChIKey is ANKDGOWLJUMAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O.C20H15N3O2.C13H9N3O2.C13H11N3.C8H6IN.C7H5ClO2.C6H6BNO4.C6H8N2/c26-20(22-13-14-9-11-21-12-10-14)23-16-7-5-15(6-8-16)19-17-3-1-2-4-18(17)24-25-19;24-20(25-16-6-2-1-3-7-16)21-15-12-10-14(11-13-15)19-17-8-4-5-9-18(17)22-23-19;17-16(18)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14-15-13;14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13;9-8-7-4-2-1-3-6(7)5-10-8;8-7(9)10-6-4-2-1-3-5-6;9-7(10)5-1-3-6(4-2-5)8(11)12;7-5-6-1-3-8-4-2-6/h1-12H,13H2,(H,24,25)(H2,22,23,26);1-13H,(H,21,24)(H,22,23);1-8H,(H,14,15);1-8H,14H2,(H,15,16);1-4H,5H2;1-5H;1-4,9-10H;1-4H,5,7H2.
What are the key properties of 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine?
4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine has a molecular weight of 1795.92 g/mol, XLogP of 19.36, 14 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-3-yl)aniline;1-[4-(1H-indazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea;3-iodo-1H-isoindole;(4-nitrophenyl)boronic acid;3-(4-nitrophenyl)-1H-indazole;phenyl carbonochloridate;phenyl N-[4-(1H-indazol-3-yl)phenyl]carbamate;pyridin-4-ylmethanamine is sourced from PubChem (CID 157170449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).