5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C44H48BBrF2N10O8 — CID 157101518

IUPAC5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC1(C)OB(c2ccc(N3C[C@H](CO)OC3=O)cc2F)OC1(C)C.Cn1ccc(Nc2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1.Cn1ccc(Nc2ccc(Br)cn2)n1
InChIInChI=1S/C19H18FN5O3.C16H21BFNO5.C9H9BrN4/c1-24-7-6-18(23-24)22-17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)25-10-14(11-26)28-19(25)27;1-15(2)16(3,4)24-17(23-15)12-6-5-10(7-13(12)18)19-8-11(9-20)22-14(19)21;1-14-5-4-9(13-14)12-8-3-2-7(10)6-11-8/h2-9,14,26H,10-11H2,1H3,(H,21,22,23);5-7,11,20H,8-9H2,1-4H3;2-6H,1H3,(H,11,12,13)/t14-;11-;/m11./s1
InChIKeyAFUWIKWBUUNURY-XDSULFLRSA-N
MW973.64 g/mol
LogP6.45
Rot. Bonds10

About 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 157101518) has the molecular formula C44H48BBrF2N10O8 and a molecular weight of 973.64 g/mol. Its IUPAC name is 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID157101518
Molecular FormulaC44H48BBrF2N10O8
Molecular Weight973.64 g/mol
Exact Mass972.29
IUPAC Name5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCC1(C)OB(c2ccc(N3C[C@H](CO)OC3=O)cc2F)OC1(C)C.Cn1ccc(Nc2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1.Cn1ccc(Nc2ccc(Br)cn2)n1
InChIInChI=1S/C19H18FN5O3.C16H21BFNO5.C9H9BrN4/c1-24-7-6-18(23-24)22-17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)25-10-14(11-26)28-19(25)27;1-15(2)16(3,4)24-17(23-15)12-6-5-10(7-13(12)18)19-8-11(9-20)22-14(19)21;1-14-5-4-9(13-14)12-8-3-2-7(10)6-11-8/h2-9,14,26H,10-11H2,1H3,(H,21,22,23);5-7,11,20H,8-9H2,1-4H3;2-6H,1H3,(H,11,12,13)/t14-;11-;/m11./s1
InChIKeyAFUWIKWBUUNURY-XDSULFLRSA-N
XLogP6.45
TPSA203.48 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.64
LogP ≤ 56.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 157101518) is 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CC1(C)OB(c2ccc(N3C[C@H](CO)OC3=O)cc2F)OC1(C)C.Cn1ccc(Nc2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1.Cn1ccc(Nc2ccc(Br)cn2)n1.
What is the InChIKey of 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is AFUWIKWBUUNURY-XDSULFLRSA-N. The full InChI is InChI=1S/C19H18FN5O3.C16H21BFNO5.C9H9BrN4/c1-24-7-6-18(23-24)22-17-5-2-12(9-21-17)15-4-3-13(8-16(15)20)25-10-14(11-26)28-19(25)27;1-15(2)16(3,4)24-17(23-15)12-6-5-10(7-13(12)18)19-8-11(9-20)22-14(19)21;1-14-5-4-9(13-14)12-8-3-2-7(10)6-11-8/h2-9,14,26H,10-11H2,1H3,(H,21,22,23);5-7,11,20H,8-9H2,1-4H3;2-6H,1H3,(H,11,12,13)/t14-;11-;/m11./s1.
What are the key properties of 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 973.64 g/mol, XLogP of 6.45, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylpyrazol-3-yl)pyridin-2-amine;(5R)-3-[3-fluoro-4-[6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 157101518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).