6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

C28H28FN5O3 — CID 166041297

IUPAC6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(C)c(C(=O)NCc4cc(F)ccc4OC4CCCC4)c3)ccc12
InChIInChI=1S/C28H28FN5O3/c1-16-23(27(35)32-15-19-11-20(29)8-10-25(19)37-21-5-3-4-6-21)12-18(14-31-16)17-7-9-22-24(13-17)33-34-26(22)28(36)30-2/h7-14,21H,3-6,15H2,1-2H3,(H,30,36)(H,32,35)(H,33,34)
InChIKeyKLMBOPUHCWMQTJ-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.68
Rot. Bonds7

About 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide

6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 166041297) has the molecular formula C28H28FN5O3 and a molecular weight of 501.56 g/mol. Its IUPAC name is 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID166041297
Molecular FormulaC28H28FN5O3
Molecular Weight501.56 g/mol
Exact Mass501.22
IUPAC Name6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(C)c(C(=O)NCc4cc(F)ccc4OC4CCCC4)c3)ccc12
InChIInChI=1S/C28H28FN5O3/c1-16-23(27(35)32-15-19-11-20(29)8-10-25(19)37-21-5-3-4-6-21)12-18(14-31-16)17-7-9-22-24(13-17)33-34-26(22)28(36)30-2/h7-14,21H,3-6,15H2,1-2H3,(H,30,36)(H,32,35)(H,33,34)
InChIKeyKLMBOPUHCWMQTJ-UHFFFAOYSA-N
XLogP4.68
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide (CID 166041297) is 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is CNC(=O)c1n[nH]c2cc(-c3cnc(C)c(C(=O)NCc4cc(F)ccc4OC4CCCC4)c3)ccc12.
What is the InChIKey of 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is KLMBOPUHCWMQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O3/c1-16-23(27(35)32-15-19-11-20(29)8-10-25(19)37-21-5-3-4-6-21)12-18(14-31-16)17-7-9-22-24(13-17)33-34-26(22)28(36)30-2/h7-14,21H,3-6,15H2,1-2H3,(H,30,36)(H,32,35)(H,33,34).
What are the key properties of 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide?
6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2-cyclopentyloxy-5-fluorophenyl)methylcarbamoyl]-6-methyl-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 166041297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).