N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C21H22F3N5O2 — CID 137377410

IUPACN-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H22F3N5O2/c1-28-8-6-14(7-9-28)29-12-13-10-17(18(31-2)11-16(13)27-29)26-20(30)15-4-3-5-19(25-15)21(22,23)24/h3-5,10-12,14H,6-9H2,1-2H3,(H,26,30)
InChIKeyXVWGINSVZGMTOB-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.98
Rot. Bonds4

About N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 137377410) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID137377410
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC NameN-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H22F3N5O2/c1-28-8-6-14(7-9-28)29-12-13-10-17(18(31-2)11-16(13)27-29)26-20(30)15-4-3-5-19(25-15)21(22,23)24/h3-5,10-12,14H,6-9H2,1-2H3,(H,26,30)
InChIKeyXVWGINSVZGMTOB-UHFFFAOYSA-N
XLogP3.98
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 137377410) is N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is XVWGINSVZGMTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-28-8-6-14(7-9-28)29-12-13-10-17(18(31-2)11-16(13)27-29)26-20(30)15-4-3-5-19(25-15)21(22,23)24/h3-5,10-12,14H,6-9H2,1-2H3,(H,26,30).
What are the key properties of N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(1-methylpiperidin-4-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 137377410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).