2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H25F3N6O2 — CID 10301123

IUPAC2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(OCC2CCNCC2)cc(C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C26H25F3N6O2/c27-26(28,29)18-10-20(12-21(11-18)37-15-16-5-8-30-9-6-16)34-25(36)22-2-1-7-31-24(22)33-19-4-3-17-14-32-35-23(17)13-19/h1-4,7,10-14,16,30H,5-6,8-9,15H2,(H,31,33)(H,32,35)(H,34,36)
InChIKeyVKWYLDOXCYKOFZ-UHFFFAOYSA-N
MW510.52 g/mol
LogP5.35
Rot. Bonds7

About 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 10301123) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID10301123
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC Name2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(OCC2CCNCC2)cc(C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C26H25F3N6O2/c27-26(28,29)18-10-20(12-21(11-18)37-15-16-5-8-30-9-6-16)34-25(36)22-2-1-7-31-24(22)33-19-4-3-17-14-32-35-23(17)13-19/h1-4,7,10-14,16,30H,5-6,8-9,15H2,(H,31,33)(H,32,35)(H,34,36)
InChIKeyVKWYLDOXCYKOFZ-UHFFFAOYSA-N
XLogP5.35
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 55.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 10301123) is 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cc(OCC2CCNCC2)cc(C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VKWYLDOXCYKOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c27-26(28,29)18-10-20(12-21(11-18)37-15-16-5-8-30-9-6-16)34-25(36)22-2-1-7-31-24(22)33-19-4-3-17-14-32-35-23(17)13-19/h1-4,7,10-14,16,30H,5-6,8-9,15H2,(H,31,33)(H,32,35)(H,34,36).
What are the key properties of 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 5.35, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-ylamino)-N-[3-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10301123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).