5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

C25H25FN6O — CID 53311996

IUPAC5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2ccc(F)c(-c3cnc(-c4ccc(N5CCN(C)CC5)cc4)o3)n2)c1
InChIInChI=1S/C25H25FN6O/c1-17-9-10-27-23(15-17)29-22-8-7-20(26)24(30-22)21-16-28-25(33-21)18-3-5-19(6-4-18)32-13-11-31(2)12-14-32/h3-10,15-16H,11-14H2,1-2H3,(H,27,29,30)
InChIKeyYHLLQHZFRQVVDA-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.74
Rot. Bonds5

About 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 53311996) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID53311996
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2ccc(F)c(-c3cnc(-c4ccc(N5CCN(C)CC5)cc4)o3)n2)c1
InChIInChI=1S/C25H25FN6O/c1-17-9-10-27-23(15-17)29-22-8-7-20(26)24(30-22)21-16-28-25(33-21)18-3-5-19(6-4-18)32-13-11-31(2)12-14-32/h3-10,15-16H,11-14H2,1-2H3,(H,27,29,30)
InChIKeyYHLLQHZFRQVVDA-UHFFFAOYSA-N
XLogP4.74
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (CID 53311996) is 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is Cc1ccnc(Nc2ccc(F)c(-c3cnc(-c4ccc(N5CCN(C)CC5)cc4)o3)n2)c1.
What is the InChIKey of 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is YHLLQHZFRQVVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-17-9-10-27-23(15-17)29-22-8-7-20(26)24(30-22)21-16-28-25(33-21)18-3-5-19(6-4-18)32-13-11-31(2)12-14-32/h3-10,15-16H,11-14H2,1-2H3,(H,27,29,30).
What are the key properties of 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 444.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazol-5-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 53311996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).