6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine

C29H37FN8O2 — CID 166135356

IUPAC6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine
SMILESCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1cc(N2OCC[C@@H]2c2cncc(F)c2)ncn1
InChIInChI=1S/C29H37FN8O2/c1-35-10-12-37(13-11-35)23-5-8-36(9-6-23)24-3-4-25(27(16-24)39-2)34-28-17-29(33-20-32-28)38-26(7-14-40-38)21-15-22(30)19-31-18-21/h3-4,15-20,23,26H,5-14H2,1-2H3,(H,32,33,34)/t26-/m1/s1
InChIKeyXUFRWKDOODSLSD-AREMUKBSSA-N
MW548.67 g/mol
LogP3.86
Rot. Bonds7

About 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine

6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine (PubChem CID 166135356) has the molecular formula C29H37FN8O2 and a molecular weight of 548.67 g/mol. Its IUPAC name is 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine
PubChem CID166135356
Molecular FormulaC29H37FN8O2
Molecular Weight548.67 g/mol
Exact Mass548.30
IUPAC Name6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine
SMILESCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1cc(N2OCC[C@@H]2c2cncc(F)c2)ncn1
InChIInChI=1S/C29H37FN8O2/c1-35-10-12-37(13-11-35)23-5-8-36(9-6-23)24-3-4-25(27(16-24)39-2)34-28-17-29(33-20-32-28)38-26(7-14-40-38)21-15-22(30)19-31-18-21/h3-4,15-20,23,26H,5-14H2,1-2H3,(H,32,33,34)/t26-/m1/s1
InChIKeyXUFRWKDOODSLSD-AREMUKBSSA-N
XLogP3.86
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.67
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine?
The IUPAC name of 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine (CID 166135356) is 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine is COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1cc(N2OCC[C@@H]2c2cncc(F)c2)ncn1.
What is the InChIKey of 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine?
The InChIKey is XUFRWKDOODSLSD-AREMUKBSSA-N. The full InChI is InChI=1S/C29H37FN8O2/c1-35-10-12-37(13-11-35)23-5-8-36(9-6-23)24-3-4-25(27(16-24)39-2)34-28-17-29(33-20-32-28)38-26(7-14-40-38)21-15-22(30)19-31-18-21/h3-4,15-20,23,26H,5-14H2,1-2H3,(H,32,33,34)/t26-/m1/s1.
What are the key properties of 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine?
6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine has a molecular weight of 548.67 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 166135356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).