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

C25H23F3N6O2 — CID 10278417

IUPAC2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(OC2CCNCC2)cc(C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)16-10-18(12-20(11-16)36-19-5-8-29-9-6-19)33-24(35)21-2-1-7-30-23(21)32-17-4-3-15-14-31-34-22(15)13-17/h1-4,7,10-14,19,29H,5-6,8-9H2,(H,30,32)(H,31,34)(H,33,35)
InChIKeyZWKWYAKQNGKHTH-UHFFFAOYSA-N
MW496.49 g/mol
LogP5.10
Rot. Bonds6

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

2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 10278417) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID10278417
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC Name2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(OC2CCNCC2)cc(C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)16-10-18(12-20(11-16)36-19-5-8-29-9-6-19)33-24(35)21-2-1-7-30-23(21)32-17-4-3-15-14-31-34-22(15)13-17/h1-4,7,10-14,19,29H,5-6,8-9H2,(H,30,32)(H,31,34)(H,33,35)
InChIKeyZWKWYAKQNGKHTH-UHFFFAOYSA-N
XLogP5.10
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.49
LogP ≤ 55.10
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-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 10278417) is 2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cc(OC2CCNCC2)cc(C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZWKWYAKQNGKHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c26-25(27,28)16-10-18(12-20(11-16)36-19-5-8-29-9-6-19)33-24(35)21-2-1-7-30-23(21)32-17-4-3-15-14-31-34-22(15)13-17/h1-4,7,10-14,19,29H,5-6,8-9H2,(H,30,32)(H,31,34)(H,33,35).
What are the key properties of 2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-(1H-indazol-6-ylamino)-N-[3-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 5.10, 6 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-yloxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10278417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).