(5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

C23H24F3N5O — CID 56662293

IUPAC(5-methyl-1H-pyrazol-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[nH]1
InChIInChI=1S/C23H24F3N5O/c1-15-13-20(30-29-15)22(32)31-11-8-19(9-12-31)28-21(17-3-2-10-27-14-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21,28H,8-9,11-12H2,1H3,(H,29,30)
InChIKeyVRXSNDMOTKAISC-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.12
Rot. Bonds5

About (5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

(5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (PubChem CID 56662293) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
PubChem CID56662293
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name(5-methyl-1H-pyrazol-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[nH]1
InChIInChI=1S/C23H24F3N5O/c1-15-13-20(30-29-15)22(32)31-11-8-19(9-12-31)28-21(17-3-2-10-27-14-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21,28H,8-9,11-12H2,1H3,(H,29,30)
InChIKeyVRXSNDMOTKAISC-UHFFFAOYSA-N
XLogP4.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone (CID 56662293) is (5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-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[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
The InChIKey is VRXSNDMOTKAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-15-13-20(30-29-15)22(32)31-11-8-19(9-12-31)28-21(17-3-2-10-27-14-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21,28H,8-9,11-12H2,1H3,(H,29,30).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone?
(5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone has a molecular weight of 443.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56662293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).