2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide

C23H15Cl2FN4O — CID 154454284

IUPAC2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)-c1c(cnn1-c1ccc(F)cc1)CC2)c1cc(Cl)ncc1Cl
InChIInChI=1S/C23H15Cl2FN4O/c24-20-12-27-21(25)10-19(20)23(31)29-16-6-3-13-1-2-14-11-28-30(22(14)18(13)9-16)17-7-4-15(26)5-8-17/h3-12H,1-2H2,(H,29,31)
InChIKeyUYPAQRVIXRLSQA-UHFFFAOYSA-N
MW453.30 g/mol
LogP5.73
Rot. Bonds3

About 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide

2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide (PubChem CID 154454284) has the molecular formula C23H15Cl2FN4O and a molecular weight of 453.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide
PubChem CID154454284
Molecular FormulaC23H15Cl2FN4O
Molecular Weight453.30 g/mol
Exact Mass452.06
IUPAC Name2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)-c1c(cnn1-c1ccc(F)cc1)CC2)c1cc(Cl)ncc1Cl
InChIInChI=1S/C23H15Cl2FN4O/c24-20-12-27-21(25)10-19(20)23(31)29-16-6-3-13-1-2-14-11-28-30(22(14)18(13)9-16)17-7-4-15(26)5-8-17/h3-12H,1-2H2,(H,29,31)
InChIKeyUYPAQRVIXRLSQA-UHFFFAOYSA-N
XLogP5.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.30
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-[(4-amino-2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10205787
8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane
CID 142828680
8-[[5-chloro-2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 53318191
8-[[5-chloro-2-[4-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 53319546
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide
CID 114917851
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 126785728
8-[(2-chlorobenzoyl)amino]-1-(3-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10115525
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31786455

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide (CID 154454284) is 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)-c1c(cnn1-c1ccc(F)cc1)CC2)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide?
The InChIKey is UYPAQRVIXRLSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2FN4O/c24-20-12-27-21(25)10-19(20)23(31)29-16-6-3-13-1-2-14-11-28-30(22(14)18(13)9-16)17-7-4-15(26)5-8-17/h3-12H,1-2H2,(H,29,31).
What are the key properties of 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide?
2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide has a molecular weight of 453.30 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-8-yl]pyridine-4-carboxamide is sourced from PubChem (CID 154454284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).