methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate

C23H23FN4O3 — CID 24790581

IUPACmethyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)nc1
InChIInChI=1S/C23H23FN4O3/c1-23(2)10-19(27-21(29)18-9-4-14(12-25-18)22(30)31-3)17-13-26-28(20(17)11-23)16-7-5-15(24)6-8-16/h4-9,12-13,19H,10-11H2,1-3H3,(H,27,29)
InChIKeyGGEWAFAMBUSCIX-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.64
Rot. Bonds4

About methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate (PubChem CID 24790581) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate
PubChem CID24790581
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Namemethyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)nc1
InChIInChI=1S/C23H23FN4O3/c1-23(2)10-19(27-21(29)18-9-4-14(12-25-18)22(30)31-3)17-13-26-28(20(17)11-23)16-7-5-15(24)6-8-16/h4-9,12-13,19H,10-11H2,1-3H3,(H,27,29)
InChIKeyGGEWAFAMBUSCIX-UHFFFAOYSA-N
XLogP3.64
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate (CID 24790581) is methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)nc1.
What is the InChIKey of methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is GGEWAFAMBUSCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-23(2)10-19(27-21(29)18-9-4-14(12-25-18)22(30)31-3)17-13-26-28(20(17)11-23)16-7-5-15(24)6-8-16/h4-9,12-13,19H,10-11H2,1-3H3,(H,27,29).
What are the key properties of methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 422.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 24790581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).