6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C28H24F3N5O2 — CID 71544244

IUPAC6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(-c2cn[nH]c2)nc1
InChIInChI=1S/C28H24F3N5O2/c29-28(30,31)22-7-11-26(33-17-22)38-24-3-1-2-19(13-24)12-18-4-8-23(9-5-18)36-27(37)20-6-10-25(32-14-20)21-15-34-35-16-21/h1-3,6-7,10-17,23H,4-5,8-9H2,(H,34,35)(H,36,37)/b18-12-
InChIKeyCETLYAOJFHJISK-PDGQHHTCSA-N
MW519.53 g/mol
LogP6.43
Rot. Bonds6

About 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 71544244) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID71544244
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC Name6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(-c2cn[nH]c2)nc1
InChIInChI=1S/C28H24F3N5O2/c29-28(30,31)22-7-11-26(33-17-22)38-24-3-1-2-19(13-24)12-18-4-8-23(9-5-18)36-27(37)20-6-10-25(32-14-20)21-15-34-35-16-21/h1-3,6-7,10-17,23H,4-5,8-9H2,(H,34,35)(H,36,37)/b18-12-
InChIKeyCETLYAOJFHJISK-PDGQHHTCSA-N
XLogP6.43
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 71544244) is 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(-c2cn[nH]c2)nc1.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is CETLYAOJFHJISK-PDGQHHTCSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c29-28(30,31)22-7-11-26(33-17-22)38-24-3-1-2-19(13-24)12-18-4-8-23(9-5-18)36-27(37)20-6-10-25(32-14-20)21-15-34-35-16-21/h1-3,6-7,10-17,23H,4-5,8-9H2,(H,34,35)(H,36,37)/b18-12-.
What are the key properties of 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 519.53 g/mol, XLogP of 6.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 71544244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).