7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one

C22H25N5O3 — CID 122688005

IUPAC7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one
SMILESCOCCN1C(=O)COc2cc(Nc3cc4c(ncn4CC4CC4)c(C)n3)ccc21
InChIInChI=1S/C22H25N5O3/c1-14-22-18(26(13-23-22)11-15-3-4-15)10-20(24-14)25-16-5-6-17-19(9-16)30-12-21(28)27(17)7-8-29-2/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,24,25)
InChIKeyQRYSTIFSIYIJTK-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.27
Rot. Bonds7

About 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one

7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one (PubChem CID 122688005) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one
PubChem CID122688005
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one
SMILESCOCCN1C(=O)COc2cc(Nc3cc4c(ncn4CC4CC4)c(C)n3)ccc21
InChIInChI=1S/C22H25N5O3/c1-14-22-18(26(13-23-22)11-15-3-4-15)10-20(24-14)25-16-5-6-17-19(9-16)30-12-21(28)27(17)7-8-29-2/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,24,25)
InChIKeyQRYSTIFSIYIJTK-UHFFFAOYSA-N
XLogP3.27
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one with MolForge

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Related Compounds

7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one
CID 118278509
7-[[3-(cyclopropylmethyl)-6-hydroxybenzimidazol-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 118278454
7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 118278526
4-(2-methoxyethyl)-7-propan-2-yl-1,4-benzoxazin-3-one
CID 59333197
6-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-1-methyl-3,4-dihydroquinazolin-2-one
CID 118278467
7-[[3-(2-cyclopropylethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 122688076
6-chloro-7-[[3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridin-5-yl]amino]-4-(2,2-difluoroethyl)-1,4-benzoxazin-3-one
CID 122688215
7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one
CID 118278468
7-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 162674433
6-(cyclopropylmethyl)-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
CID 58483740
6-(cyclopropylamino)-4-(2-ethoxyethyl)-1,4-benzoxazin-3-one
CID 58006097
7-[4-(2,6-dimethylmorpholin-4-yl)-3-methylanilino]-4-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 167299882

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one (CID 122688005) is 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one is COCCN1C(=O)COc2cc(Nc3cc4c(ncn4CC4CC4)c(C)n3)ccc21.
What is the InChIKey of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one?
The InChIKey is QRYSTIFSIYIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-22-18(26(13-23-22)11-15-3-4-15)10-20(24-14)25-16-5-6-17-19(9-16)30-12-21(28)27(17)7-8-29-2/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,24,25).
What are the key properties of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one?
7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one has a molecular weight of 407.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 122688005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).