5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide

C26H26FN5O4S — CID 67512993

IUPAC5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide
SMILESCCN(c1cc2nn(-c3ccc(Oc4ccc(F)cc4)nc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C26H26FN5O4S/c1-4-31(37(3,34)35)23-14-22-21(13-20(23)16-5-6-16)25(26(33)28-2)32(30-22)18-9-12-24(29-15-18)36-19-10-7-17(27)8-11-19/h7-16H,4-6H2,1-3H3,(H,28,33)
InChIKeyDTNILBMMHPGHBT-UHFFFAOYSA-N
MW523.59 g/mol
LogP4.37
Rot. Bonds8

About 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide

5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide (PubChem CID 67512993) has the molecular formula C26H26FN5O4S and a molecular weight of 523.59 g/mol. Its IUPAC name is 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide
PubChem CID67512993
Molecular FormulaC26H26FN5O4S
Molecular Weight523.59 g/mol
Exact Mass523.17
IUPAC Name5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide
SMILESCCN(c1cc2nn(-c3ccc(Oc4ccc(F)cc4)nc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O
InChIInChI=1S/C26H26FN5O4S/c1-4-31(37(3,34)35)23-14-22-21(13-20(23)16-5-6-16)25(26(33)28-2)32(30-22)18-9-12-24(29-15-18)36-19-10-7-17(27)8-11-19/h7-16H,4-6H2,1-3H3,(H,28,33)
InChIKeyDTNILBMMHPGHBT-UHFFFAOYSA-N
XLogP4.37
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide (CID 67512993) is 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide is CCN(c1cc2nn(-c3ccc(Oc4ccc(F)cc4)nc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O.
What is the InChIKey of 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide?
The InChIKey is DTNILBMMHPGHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4S/c1-4-31(37(3,34)35)23-14-22-21(13-20(23)16-5-6-16)25(26(33)28-2)32(30-22)18-9-12-24(29-15-18)36-19-10-7-17(27)8-11-19/h7-16H,4-6H2,1-3H3,(H,28,33).
What are the key properties of 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide?
5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide has a molecular weight of 523.59 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[6-(4-fluorophenoxy)-3-pyridinyl]-N-methylindazole-3-carboxamide is sourced from PubChem (CID 67512993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).