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

C29H26F3N5O2 — CID 129225620

IUPAC6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(C(N)=O)c(C3CCC(=Cc4cccc(Oc5ccc(C(F)(F)F)cn5)c4)CC3)n2)cn1
InChIInChI=1S/C29H26F3N5O2/c1-37-17-21(15-35-37)25-11-10-24(28(33)38)27(36-25)20-7-5-18(6-8-20)13-19-3-2-4-23(14-19)39-26-12-9-22(16-34-26)29(30,31)32/h2-4,9-17,20H,5-8H2,1H3,(H2,33,38)/b18-13-
InChIKeyGMRGXRVDTGGVDG-AQTBWJFISA-N
MW533.55 g/mol
LogP6.53
Rot. Bonds6

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

6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 129225620) has the molecular formula C29H26F3N5O2 and a molecular weight of 533.55 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID129225620
Molecular FormulaC29H26F3N5O2
Molecular Weight533.55 g/mol
Exact Mass533.20
IUPAC Name6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCn1cc(-c2ccc(C(N)=O)c(C3CCC(=Cc4cccc(Oc5ccc(C(F)(F)F)cn5)c4)CC3)n2)cn1
InChIInChI=1S/C29H26F3N5O2/c1-37-17-21(15-35-37)25-11-10-24(28(33)38)27(36-25)20-7-5-18(6-8-20)13-19-3-2-4-23(14-19)39-26-12-9-22(16-34-26)29(30,31)32/h2-4,9-17,20H,5-8H2,1H3,(H2,33,38)/b18-13-
InChIKeyGMRGXRVDTGGVDG-AQTBWJFISA-N
XLogP6.53
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 129225620) is 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is Cn1cc(-c2ccc(C(N)=O)c(C3CCC(=Cc4cccc(Oc5ccc(C(F)(F)F)cn5)c4)CC3)n2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is GMRGXRVDTGGVDG-AQTBWJFISA-N. The full InChI is InChI=1S/C29H26F3N5O2/c1-37-17-21(15-35-37)25-11-10-24(28(33)38)27(36-25)20-7-5-18(6-8-20)13-19-3-2-4-23(14-19)39-26-12-9-22(16-34-26)29(30,31)32/h2-4,9-17,20H,5-8H2,1H3,(H2,33,38)/b18-13-.
What are the key properties of 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 533.55 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 129225620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).