N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane

C99H92F2N14O3 — CID 157139159

IUPACN-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane
SMILESC.C.C.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)c(-c2nc4c(-c5cccc(F)c5)cncc4[nH]2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)c(C=O)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.Nc1cncc(-c2cccc(F)c2)c1N
InChIInChI=1S/C48H38FN7O.C37H32N4O2.C11H10FN3.3CH4/c1-31(2)23-44(57)52-39-25-34(27-50-28-39)32-21-22-43-40(26-32)46(47-53-42-30-51-29-41(45(42)54-47)33-13-12-20-38(49)24-33)55-56(43)48(35-14-6-3-7-15-35,36-16-8-4-9-17-36)37-18-10-5-11-19-37;1-26(2)20-36(43)39-32-21-28(23-38-24-32)27-18-19-35-33(22-27)34(25-42)40-41(35)37(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31;12-8-3-1-2-7(4-8)9-5-15-6-10(13)11(9)14;;;/h3-22,24-31H,23H2,1-2H3,(H,52,57)(H,53,54);3-19,21-26H,20H2,1-2H3,(H,39,43);1-6H,13H2,(H2,14,15);3*1H4
InChIKeyAJZGNZDXIDAMDT-UHFFFAOYSA-N
MW1563.92 g/mol
LogP22.36
Rot. Bonds20

About N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane

N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane (PubChem CID 157139159) has the molecular formula C99H92F2N14O3 and a molecular weight of 1563.92 g/mol. Its IUPAC name is N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane.

Molecular Properties

Compound NameN-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane
PubChem CID157139159
Molecular FormulaC99H92F2N14O3
Molecular Weight1563.92 g/mol
Exact Mass1562.74
IUPAC NameN-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane
SMILESC.C.C.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)c(-c2nc4c(-c5cccc(F)c5)cncc4[nH]2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)c(C=O)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.Nc1cncc(-c2cccc(F)c2)c1N
InChIInChI=1S/C48H38FN7O.C37H32N4O2.C11H10FN3.3CH4/c1-31(2)23-44(57)52-39-25-34(27-50-28-39)32-21-22-43-40(26-32)46(47-53-42-30-51-29-41(45(42)54-47)33-13-12-20-38(49)24-33)55-56(43)48(35-14-6-3-7-15-35,36-16-8-4-9-17-36)37-18-10-5-11-19-37;1-26(2)20-36(43)39-32-21-28(23-38-24-32)27-18-19-35-33(22-27)34(25-42)40-41(35)37(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31;12-8-3-1-2-7(4-8)9-5-15-6-10(13)11(9)14;;;/h3-22,24-31H,23H2,1-2H3,(H,52,57)(H,53,54);3-19,21-26H,20H2,1-2H3,(H,39,43);1-6H,13H2,(H2,14,15);3*1H4
InChIKeyAJZGNZDXIDAMDT-UHFFFAOYSA-N
XLogP22.36
TPSA243.19 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.92
LogP ≤ 522.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane with MolForge

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Related Compounds

Lorecivivint
CID 135565709
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1H-indazole-3-carboxamide
CID 89450403
5-[5-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381143
2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[(2S,4R)-2-[5-(6-bromo-2-pyridinyl)-1H-imidazol-2-yl]-4-fluoropyrrolidin-1-yl]ethanone
CID 126643195
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 135987311
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136643028
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136643053
4-Fluoro-5-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 137507742
US20240025884, Example 426
CID 170672791
1-(2-((2S,4R)-4-fluoro-2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-2-carbonyl)pyrrolidin-1-yl)-2-oxoethyl)-5-(pyrimidin-2-ylethynyl)-1H-indazole-3-carboxamide
CID 118322972
US20250092044, Example 7
CID 176248149
US20250092044, Example 24
CID 176248185

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane?
The IUPAC name of N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane (CID 157139159) is N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane.
What is the SMILES notation for N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane?
The canonical SMILES for N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane is C.C.C.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)c(-c2nc4c(-c5cccc(F)c5)cncc4[nH]2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)c(C=O)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.Nc1cncc(-c2cccc(F)c2)c1N.
What is the InChIKey of N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane?
The InChIKey is AJZGNZDXIDAMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38FN7O.C37H32N4O2.C11H10FN3.3CH4/c1-31(2)23-44(57)52-39-25-34(27-50-28-39)32-21-22-43-40(26-32)46(47-53-42-30-51-29-41(45(42)54-47)33-13-12-20-38(49)24-33)55-56(43)48(35-14-6-3-7-15-35,36-16-8-4-9-17-36)37-18-10-5-11-19-37;1-26(2)20-36(43)39-32-21-28(23-38-24-32)27-18-19-35-33(22-27)34(25-42)40-41(35)37(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31;12-8-3-1-2-7(4-8)9-5-15-6-10(13)11(9)14;;;/h3-22,24-31H,23H2,1-2H3,(H,52,57)(H,53,54);3-19,21-26H,20H2,1-2H3,(H,39,43);1-6H,13H2,(H2,14,15);3*1H4.
What are the key properties of N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane?
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane has a molecular weight of 1563.92 g/mol, XLogP of 22.36, 20 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-tritylindazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-(3-formyl-1-tritylindazol-5-yl)-3-pyridinyl]-3-methylbutanamide;methane is sourced from PubChem (CID 157139159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).