7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one

C19H18FN5O2 — CID 118278526

IUPAC7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3nc4c(cc3F)ncn4CC3CC3)ccc21
InChIInChI=1S/C19H18FN5O2/c1-24-15-5-4-12(6-16(15)27-9-17(24)26)22-18-13(20)7-14-19(23-18)25(10-21-14)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,22,23)
InChIKeyGVLYTJGAEBKQJP-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.08
Rot. Bonds4

About 7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one

7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 118278526) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
PubChem CID118278526
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3nc4c(cc3F)ncn4CC3CC3)ccc21
InChIInChI=1S/C19H18FN5O2/c1-24-15-5-4-12(6-16(15)27-9-17(24)26)22-18-13(20)7-14-19(23-18)25(10-21-14)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,22,23)
InChIKeyGVLYTJGAEBKQJP-UHFFFAOYSA-N
XLogP3.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.08
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-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one (CID 118278526) is 7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2cc(Nc3nc4c(cc3F)ncn4CC3CC3)ccc21.
What is the InChIKey of 7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is GVLYTJGAEBKQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-24-15-5-4-12(6-16(15)27-9-17(24)26)22-18-13(20)7-14-19(23-18)25(10-21-14)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,22,23).
What are the key properties of 7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 367.38 g/mol, XLogP of 3.08, 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-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 118278526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).