2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C76H69BBrClF4N20O4S4 — CID 157466325

About 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 157466325) has the molecular formula C76H69BBrClF4N20O4S4 and a molecular weight of 1656.95 g/mol. Its IUPAC name is 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 157466325
• Molecular Formula: C76H69BBrClF4N20O4S4
• Molecular Weight: 1656.95 g/mol
• Exact Mass: 1654.36
• IUPAC Name: 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: Brc1cn(-c2nccs2)nc1C1CC1.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)cn1.Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)cn1.O=C(Cl)c1c(F)cccc1F.O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C21H15F2N5OS.2C14H13N5S.C11H17BN2O2.C9H8BrN3S.C7H3ClF2O/c22-15-2-1-3-16(23)18(15)20(29)26-17-7-6-13(10-25-17)14-11-28(21-24-8-9-30-21)27-19(14)12-4-5-12;2*15-12-4-3-10(7-17-12)11-8-19(14-16-5-6-20-14)18-13(11)9-1-2-9;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;10-7-5-13(9-11-3-4-14-9)12-8(7)6-1-2-6;8-7(11)6-4(9)2-1-3-5(6)10/h1-3,6-12H,4-5H2,(H,25,26,29);2*3-9H,1-2H2,(H2,15,17);5-7H,1-4H3,(H2,13,14);3-6H,1-2H2;1-3H
• InChIKey: BUNGTHGTYNCPLP-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 317.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.95
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 157466325) is 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is Brc1cn(-c2nccs2)nc1C1CC1.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)cn1.Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)cn1.O=C(Cl)c1c(F)cccc1F.O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C2CC2)cn1)c1c(F)cccc1F.

What is the InChIKey of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is BUNGTHGTYNCPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5OS.2C14H13N5S.C11H17BN2O2.C9H8BrN3S.C7H3ClF2O/c22-15-2-1-3-16(23)18(15)20(29)26-17-7-6-13(10-25-17)14-11-28(21-24-8-9-30-21)27-19(14)12-4-5-12;2*15-12-4-3-10(7-17-12)11-8-19(14-16-5-6-20-14)18-13(11)9-1-2-9;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;10-7-5-13(9-11-3-4-14-9)12-8(7)6-1-2-6;8-7(11)6-4(9)2-1-3-5(6)10/h1-3,6-12H,4-5H2,(H,25,26,29);2*3-9H,1-2H2,(H2,15,17);5-7H,1-4H3,(H2,13,14);3-6H,1-2H2;1-3H.

What are the key properties of 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1656.95 g/mol, XLogP of 16.77, 15 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-3-cyclopropylpyrazol-1-yl)-1,3-thiazole;bis(5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 157466325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).