(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone

C78H72F4N24O9S — CID 158945860

About (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone

(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (PubChem CID 158945860) has the molecular formula C78H72F4N24O9S and a molecular weight of 1597.65 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.

Molecular Properties

• Compound Name: (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
• PubChem CID: 158945860
• Molecular Formula: C78H72F4N24O9S
• Molecular Weight: 1597.65 g/mol
• Exact Mass: 1596.56
• IUPAC Name: (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
• SMILES: C=S1(=O)CCCN(C(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.CC1(F)CCN(C(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.O=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)(F)C1.O=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)C1
• InChI: InChI=1S/C20H19FN6O2.C20H20N6O3S.C19H16F2N6O2.C19H17FN6O2/c1-20(21)6-9-27(10-7-20)19(28)16-13-5-4-12(11-15(13)29-26-16)23-18-17-14(24-25-18)3-2-8-22-17;1-30(28)10-3-8-26(9-11-30)20(27)17-14-6-5-13(12-16(14)29-25-17)22-19-18-15(23-24-19)4-2-7-21-18;20-19(21)6-2-8-27(10-19)18(28)15-12-5-4-11(9-14(12)29-26-15)23-17-16-13(24-25-17)3-1-7-22-16;20-11-3-2-8-26(10-11)19(27)16-13-6-5-12(9-15(13)28-25-16)22-18-17-14(23-24-18)4-1-7-21-17/h2-5,8,11H,6-7,9-10H2,1H3,(H2,23,24,25);2,4-7,12H,1,3,8-11H2,(H2,22,23,24);1,3-5,7,9H,2,6,8,10H2,(H2,23,24,25);1,4-7,9,11H,2-3,8,10H2,(H2,22,23,24)
• InChIKey: JKUUEONZNLEETN-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 416.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1597.65
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?

The IUPAC name of (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (CID 158945860) is (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.

What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?

The canonical SMILES for (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone is C=S1(=O)CCCN(C(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.CC1(F)CCN(C(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.O=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)(F)C1.O=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)C1.

What is the InChIKey of (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?

The InChIKey is JKUUEONZNLEETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2.C20H20N6O3S.C19H16F2N6O2.C19H17FN6O2/c1-20(21)6-9-27(10-7-20)19(28)16-13-5-4-12(11-15(13)29-26-16)23-18-17-14(24-25-18)3-2-8-22-17;1-30(28)10-3-8-26(9-11-30)20(27)17-14-6-5-13(12-16(14)29-25-17)22-19-18-15(23-24-19)4-2-7-21-18;20-19(21)6-2-8-27(10-19)18(28)15-12-5-4-11(9-14(12)29-26-15)23-17-16-13(24-25-17)3-1-7-22-16;20-11-3-2-8-26(10-11)19(27)16-13-6-5-12(9-15(13)28-25-16)22-18-17-14(23-24-18)4-1-7-21-17/h2-5,8,11H,6-7,9-10H2,1H3,(H2,23,24,25);2,4-7,12H,1,3,8-11H2,(H2,22,23,24);1,3-5,7,9H,2,6,8,10H2,(H2,23,24,25);1,4-7,9,11H,2-3,8,10H2,(H2,22,23,24).

What are the key properties of (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?

(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone has a molecular weight of 1597.65 g/mol, XLogP of 13.34, 12 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone is sourced from PubChem (CID 158945860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).