2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide

C26H28F3N9O — CID 90288957

IUPAC2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(NC(=O)C(F)(F)F)C5)c4)cc3n2)c1
InChIInChI=1S/C26H28F3N9O/c1-16(2)17-9-24(36-31-11-17)35-23-5-4-21-22(34-23)8-18(10-30-21)19-12-32-38(13-19)7-3-6-37-14-20(15-37)33-25(39)26(27,28)29/h4-5,8-13,16,20H,3,6-7,14-15H2,1-2H3,(H,33,39)(H,34,35,36)
InChIKeySCKTZPGRSAWMFP-UHFFFAOYSA-N
MW539.57 g/mol
LogP3.90
Rot. Bonds9

About 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide

2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide (PubChem CID 90288957) has the molecular formula C26H28F3N9O and a molecular weight of 539.57 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide
PubChem CID90288957
Molecular FormulaC26H28F3N9O
Molecular Weight539.57 g/mol
Exact Mass539.24
IUPAC Name2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(NC(=O)C(F)(F)F)C5)c4)cc3n2)c1
InChIInChI=1S/C26H28F3N9O/c1-16(2)17-9-24(36-31-11-17)35-23-5-4-21-22(34-23)8-18(10-30-21)19-12-32-38(13-19)7-3-6-37-14-20(15-37)33-25(39)26(27,28)29/h4-5,8-13,16,20H,3,6-7,14-15H2,1-2H3,(H,33,39)(H,34,35,36)
InChIKeySCKTZPGRSAWMFP-UHFFFAOYSA-N
XLogP3.90
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide (CID 90288957) is 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(NC(=O)C(F)(F)F)C5)c4)cc3n2)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide?
The InChIKey is SCKTZPGRSAWMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N9O/c1-16(2)17-9-24(36-31-11-17)35-23-5-4-21-22(34-23)8-18(10-30-21)19-12-32-38(13-19)7-3-6-37-14-20(15-37)33-25(39)26(27,28)29/h4-5,8-13,16,20H,3,6-7,14-15H2,1-2H3,(H,33,39)(H,34,35,36).
What are the key properties of 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide?
2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide has a molecular weight of 539.57 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[3-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]propyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 90288957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).