5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C21H13F3N6O2 — CID 155482198

IUPAC5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2n[nH]c3ccc(NC(=O)c4ncc(C#N)cc4C(F)(F)F)cc23)ccn1
InChIInChI=1S/C21H13F3N6O2/c1-32-17-7-12(4-5-26-17)18-14-8-13(2-3-16(14)29-30-18)28-20(31)19-15(21(22,23)24)6-11(9-25)10-27-19/h2-8,10H,1H3,(H,28,31)(H,29,30)
InChIKeyAYPPEULILRKIAO-UHFFFAOYSA-N
MW438.37 g/mol
LogP4.17
Rot. Bonds4

About 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155482198) has the molecular formula C21H13F3N6O2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155482198
Molecular FormulaC21H13F3N6O2
Molecular Weight438.37 g/mol
Exact Mass438.11
IUPAC Name5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(-c2n[nH]c3ccc(NC(=O)c4ncc(C#N)cc4C(F)(F)F)cc23)ccn1
InChIInChI=1S/C21H13F3N6O2/c1-32-17-7-12(4-5-26-17)18-14-8-13(2-3-16(14)29-30-18)28-20(31)19-15(21(22,23)24)6-11(9-25)10-27-19/h2-8,10H,1H3,(H,28,31)(H,29,30)
InChIKeyAYPPEULILRKIAO-UHFFFAOYSA-N
XLogP4.17
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 155482198) is 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is COc1cc(-c2n[nH]c3ccc(NC(=O)c4ncc(C#N)cc4C(F)(F)F)cc23)ccn1.
What is the InChIKey of 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AYPPEULILRKIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N6O2/c1-32-17-7-12(4-5-26-17)18-14-8-13(2-3-16(14)29-30-18)28-20(31)19-15(21(22,23)24)6-11(9-25)10-27-19/h2-8,10H,1H3,(H,28,31)(H,29,30).
What are the key properties of 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 438.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-(2-methoxy-4-pyridinyl)-1H-indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155482198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).