[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C24H24F3N7O — CID 55649721

IUPAC[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCC(c3nnc4ccccn34)CC2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H24F3N7O/c1-15(2)21-18(14-29-34(21)19-7-6-17(13-28-19)24(25,26)27)23(35)32-11-8-16(9-12-32)22-31-30-20-5-3-4-10-33(20)22/h3-7,10,13-16H,8-9,11-12H2,1-2H3
InChIKeyXKOFFGLLWFSQDS-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.47
Rot. Bonds4

About [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 55649721) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID55649721
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC Name[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCC(c3nnc4ccccn34)CC2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H24F3N7O/c1-15(2)21-18(14-29-34(21)19-7-6-17(13-28-19)24(25,26)27)23(35)32-11-8-16(9-12-32)22-31-30-20-5-3-4-10-33(20)22/h3-7,10,13-16H,8-9,11-12H2,1-2H3
InChIKeyXKOFFGLLWFSQDS-UHFFFAOYSA-N
XLogP4.47
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 55649721) is [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is CC(C)c1c(C(=O)N2CCC(c3nnc4ccccn34)CC2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is XKOFFGLLWFSQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O/c1-15(2)21-18(14-29-34(21)19-7-6-17(13-28-19)24(25,26)27)23(35)32-11-8-16(9-12-32)22-31-30-20-5-3-4-10-33(20)22/h3-7,10,13-16H,8-9,11-12H2,1-2H3.
What are the key properties of [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 483.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 55649721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).