N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

C25H26FN3O — CID 118796517

IUPACN-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H26FN3O/c26-20-7-5-16(6-8-20)15-29-22-4-2-1-3-21(22)23(28-29)24(30)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H,27,30)
InChIKeyMWBHSNBPUSKVDD-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.92
Rot. Bonds4

About N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide (PubChem CID 118796517) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
PubChem CID118796517
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC NameN-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C25H26FN3O/c26-20-7-5-16(6-8-20)15-29-22-4-2-1-3-21(22)23(28-29)24(30)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H,27,30)
InChIKeyMWBHSNBPUSKVDD-UHFFFAOYSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide (CID 118796517) is N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
The InChIKey is MWBHSNBPUSKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c26-20-7-5-16(6-8-20)15-29-22-4-2-1-3-21(22)23(28-29)24(30)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H,27,30).
What are the key properties of N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 118796517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).