1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea

C24H20F3N9O2 — CID 177194499

About 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea

1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea (PubChem CID 177194499) has the molecular formula C24H20F3N9O2 and a molecular weight of 523.48 g/mol. Its IUPAC name is 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea.

Molecular Properties

• Compound Name: 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea
• PubChem CID: 177194499
• Molecular Formula: C24H20F3N9O2
• Molecular Weight: 523.48 g/mol
• Exact Mass: 523.17
• IUPAC Name: 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea
• SMILES: C=CCn1nc(-c2ccc(NC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c3nccn23)c2c(C)ncnc21
• InChI: InChI=1S/C24H20F3N9O2/c1-3-9-36-21-18(13(2)29-12-30-21)19(33-36)15-5-4-14(20-28-8-10-35(15)20)31-22(37)32-17-11-16(38-34-17)23(6-7-23)24(25,26)27/h3-5,8,10-12H,1,6-7,9H2,2H3,(H2,31,32,34,37)
• InChIKey: YCUOWXPMMQCERU-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 128.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.48
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea?

The IUPAC name of 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea (CID 177194499) is 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea.

What is the SMILES notation for 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea?

The canonical SMILES for 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea is C=CCn1nc(-c2ccc(NC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c3nccn23)c2c(C)ncnc21.

What is the InChIKey of 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea?

The InChIKey is YCUOWXPMMQCERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N9O2/c1-3-9-36-21-18(13(2)29-12-30-21)19(33-36)15-5-4-14(20-28-8-10-35(15)20)31-22(37)32-17-11-16(38-34-17)23(6-7-23)24(25,26)27/h3-5,8,10-12H,1,6-7,9H2,2H3,(H2,31,32,34,37).

What are the key properties of 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea?

1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea has a molecular weight of 523.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-methyl-1-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-yl)imidazo[1,2-a]pyridin-8-yl]-3-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]urea is sourced from PubChem (CID 177194499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).