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

C29H26F3N5O2 — CID 89463750

IUPAC6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(C(=O)NC3CCC(=Cc4cccc(Oc5ccc(C(F)(F)F)cn5)c4)CC3)cn2)n1
InChIInChI=1S/C29H26F3N5O2/c1-19-13-14-37(36-19)26-11-7-22(17-33-26)28(38)35-24-9-5-20(6-10-24)15-21-3-2-4-25(16-21)39-27-12-8-23(18-34-27)29(30,31)32/h2-4,7-8,11-18,24H,5-6,9-10H2,1H3,(H,35,38)/b20-15-
InChIKeyYPXKDVCPIAKTRX-HKWRFOASSA-N
MW533.55 g/mol
LogP6.54
Rot. Bonds6

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

6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89463750) has the molecular formula C29H26F3N5O2 and a molecular weight of 533.55 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89463750
Molecular FormulaC29H26F3N5O2
Molecular Weight533.55 g/mol
Exact Mass533.20
IUPAC Name6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(C(=O)NC3CCC(=Cc4cccc(Oc5ccc(C(F)(F)F)cn5)c4)CC3)cn2)n1
InChIInChI=1S/C29H26F3N5O2/c1-19-13-14-37(36-19)26-11-7-22(17-33-26)28(38)35-24-9-5-20(6-10-24)15-21-3-2-4-25(16-21)39-27-12-8-23(18-34-27)29(30,31)32/h2-4,7-8,11-18,24H,5-6,9-10H2,1H3,(H,35,38)/b20-15-
InChIKeyYPXKDVCPIAKTRX-HKWRFOASSA-N
XLogP6.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89463750) is 6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is Cc1ccn(-c2ccc(C(=O)NC3CCC(=Cc4cccc(Oc5ccc(C(F)(F)F)cn5)c4)CC3)cn2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is YPXKDVCPIAKTRX-HKWRFOASSA-N. The full InChI is InChI=1S/C29H26F3N5O2/c1-19-13-14-37(36-19)26-11-7-22(17-33-26)28(38)35-24-9-5-20(6-10-24)15-21-3-2-4-25(16-21)39-27-12-8-23(18-34-27)29(30,31)32/h2-4,7-8,11-18,24H,5-6,9-10H2,1H3,(H,35,38)/b20-15-.
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 533.55 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89463750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).