2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide

C24H19F4N7O — CID 130423445

IUPAC2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc(Nc3cnn(C4CC4)c3)nc2)cc1F)Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N7O/c25-21-5-14(16-8-30-23(31-9-16)34-19-12-32-35(13-19)20-3-4-20)1-2-15(21)6-22(36)33-18-7-17(10-29-11-18)24(26,27)28/h1-2,5,7-13,20H,3-4,6H2,(H,33,36)(H,30,31,34)
InChIKeyUBSNASOABTURSA-UHFFFAOYSA-N
MW497.46 g/mol
LogP5.15
Rot. Bonds7

About 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130423445) has the molecular formula C24H19F4N7O and a molecular weight of 497.46 g/mol. Its IUPAC name is 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID130423445
Molecular FormulaC24H19F4N7O
Molecular Weight497.46 g/mol
Exact Mass497.16
IUPAC Name2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc(Nc3cnn(C4CC4)c3)nc2)cc1F)Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N7O/c25-21-5-14(16-8-30-23(31-9-16)34-19-12-32-35(13-19)20-3-4-20)1-2-15(21)6-22(36)33-18-7-17(10-29-11-18)24(26,27)28/h1-2,5,7-13,20H,3-4,6H2,(H,33,36)(H,30,31,34)
InChIKeyUBSNASOABTURSA-UHFFFAOYSA-N
XLogP5.15
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.46
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130423445) is 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(-c2cnc(Nc3cnn(C4CC4)c3)nc2)cc1F)Nc1cncc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is UBSNASOABTURSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N7O/c25-21-5-14(16-8-30-23(31-9-16)34-19-12-32-35(13-19)20-3-4-20)1-2-15(21)6-22(36)33-18-7-17(10-29-11-18)24(26,27)28/h1-2,5,7-13,20H,3-4,6H2,(H,33,36)(H,30,31,34).
What are the key properties of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 497.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130423445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).