(2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

C24H26F3N5O — CID 56669288

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C)n1
InChIInChI=1S/C24H26F3N5O/c1-16-14-21(31(2)30-16)23(33)32-12-9-20(10-13-32)29-22(18-4-3-11-28-15-18)17-5-7-19(8-6-17)24(25,26)27/h3-8,11,14-15,20,22,29H,9-10,12-13H2,1-2H3
InChIKeyJWHCUTUBUZDWGH-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.13
Rot. Bonds5

About (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (PubChem CID 56669288) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
PubChem CID56669288
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C)n1
InChIInChI=1S/C24H26F3N5O/c1-16-14-21(31(2)30-16)23(33)32-12-9-20(10-13-32)29-22(18-4-3-11-28-15-18)17-5-7-19(8-6-17)24(25,26)27/h3-8,11,14-15,20,22,29H,9-10,12-13H2,1-2H3
InChIKeyJWHCUTUBUZDWGH-UHFFFAOYSA-N
XLogP4.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (CID 56669288) is (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(NC(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The InChIKey is JWHCUTUBUZDWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-16-14-21(31(2)30-16)23(33)32-12-9-20(10-13-32)29-22(18-4-3-11-28-15-18)17-5-7-19(8-6-17)24(25,26)27/h3-8,11,14-15,20,22,29H,9-10,12-13H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone has a molecular weight of 457.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56669288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).