(2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide

C27H26FN7O2 — CID 139469049

IUPAC(2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide
SMILESCc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H](C)[C@@H](C)c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C27H26FN7O2/c1-14-7-18(27-30-5-6-37-27)8-21(28)24(14)22-9-17-10-23(31-12-20(17)25(29)33-22)34-26(36)16(3)15(2)19-11-32-35(4)13-19/h5-13,15-16H,1-4H3,(H2,29,33)(H,31,34,36)/t15-,16-/m1/s1
InChIKeyGCNHMARYXDTFGI-HZPDHXFCSA-N
MW499.55 g/mol
LogP5.09
Rot. Bonds6

About (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide

(2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide (PubChem CID 139469049) has the molecular formula C27H26FN7O2 and a molecular weight of 499.55 g/mol. Its IUPAC name is (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name(2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide
PubChem CID139469049
Molecular FormulaC27H26FN7O2
Molecular Weight499.55 g/mol
Exact Mass499.21
IUPAC Name(2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide
SMILESCc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H](C)[C@@H](C)c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/C27H26FN7O2/c1-14-7-18(27-30-5-6-37-27)8-21(28)24(14)22-9-17-10-23(31-12-20(17)25(29)33-22)34-26(36)16(3)15(2)19-11-32-35(4)13-19/h5-13,15-16H,1-4H3,(H2,29,33)(H,31,34,36)/t15-,16-/m1/s1
InChIKeyGCNHMARYXDTFGI-HZPDHXFCSA-N
XLogP5.09
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.55
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide?
The IUPAC name of (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide (CID 139469049) is (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide.
What is the SMILES notation for (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide?
The canonical SMILES for (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide is Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H](C)[C@@H](C)c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide?
The InChIKey is GCNHMARYXDTFGI-HZPDHXFCSA-N. The full InChI is InChI=1S/C27H26FN7O2/c1-14-7-18(27-30-5-6-37-27)8-21(28)24(14)22-9-17-10-23(31-12-20(17)25(29)33-22)34-26(36)16(3)15(2)19-11-32-35(4)13-19/h5-13,15-16H,1-4H3,(H2,29,33)(H,31,34,36)/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide?
(2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide has a molecular weight of 499.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide is sourced from PubChem (CID 139469049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).