N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide

C23H27FN4O2 — CID 156818007

IUPACN-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H27FN4O2/c1-23(2,17-10-8-9-16(15-17)21(25)29)26-22(30)20-18-11-4-5-12-19(18)28(27-20)14-7-3-6-13-24/h4-5,8-12,15H,3,6-7,13-14H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyASOXUSRDPYXDQD-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.94
Rot. Bonds9

About N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide

N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide (PubChem CID 156818007) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide
PubChem CID156818007
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1cccc(C(N)=O)c1
InChIInChI=1S/C23H27FN4O2/c1-23(2,17-10-8-9-16(15-17)21(25)29)26-22(30)20-18-11-4-5-12-19(18)28(27-20)14-7-3-6-13-24/h4-5,8-12,15H,3,6-7,13-14H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyASOXUSRDPYXDQD-UHFFFAOYSA-N
XLogP3.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide?
The IUPAC name of N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide (CID 156818007) is N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide is CC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1cccc(C(N)=O)c1.
What is the InChIKey of N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide?
The InChIKey is ASOXUSRDPYXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-23(2,17-10-8-9-16(15-17)21(25)29)26-22(30)20-18-11-4-5-12-19(18)28(27-20)14-7-3-6-13-24/h4-5,8-12,15H,3,6-7,13-14H2,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide?
N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylphenyl)propan-2-yl]-1-(5-fluoropentyl)indazole-3-carboxamide is sourced from PubChem (CID 156818007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).