7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

C20H20FN5O2 — CID 118288325

IUPAC7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1c(F)c(Nc2cnc3c(c2)OCC(=O)N3C)cc2c1ncn2CC1CC1
InChIInChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3
InChIKeyFGOCVDXNGWYAMP-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.39
Rot. Bonds4

About 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 118288325) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID118288325
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1c(F)c(Nc2cnc3c(c2)OCC(=O)N3C)cc2c1ncn2CC1CC1
InChIInChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3
InChIKeyFGOCVDXNGWYAMP-UHFFFAOYSA-N
XLogP3.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 118288325) is 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is Cc1c(F)c(Nc2cnc3c(c2)OCC(=O)N3C)cc2c1ncn2CC1CC1.
What is the InChIKey of 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is FGOCVDXNGWYAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3.
What are the key properties of 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 381.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(cyclopropylmethyl)-6-fluoro-7-methylbenzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 118288325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).