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

C20H22N6O2 — CID 118278509

IUPAC7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN1C(=O)COc2cc(Nc3cc4c(ncn4CC4CC4)c(C)n3)cnc21
InChIInChI=1S/C20H22N6O2/c1-3-26-18(27)10-28-16-6-14(8-21-20(16)26)24-17-7-15-19(12(2)23-17)22-11-25(15)9-13-4-5-13/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,23,24)
InChIKeyATZYALZITJWSNG-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.03
Rot. Bonds5

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

7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 118278509) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID118278509
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN1C(=O)COc2cc(Nc3cc4c(ncn4CC4CC4)c(C)n3)cnc21
InChIInChI=1S/C20H22N6O2/c1-3-26-18(27)10-28-16-6-14(8-21-20(16)26)24-17-7-15-19(12(2)23-17)22-11-25(15)9-13-4-5-13/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,23,24)
InChIKeyATZYALZITJWSNG-UHFFFAOYSA-N
XLogP3.03
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one
CID 122688005
7-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 162674433
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
4-ethyl-7-nitropyrido[3,2-b][1,4]oxazin-3-one
CID 134125355
7-[[3-(cyclopropylmethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methylpyrido[4,3-b][1,4]oxazin-3-one
CID 118278468
7-[[3-(cyclopropylmethyl)-6-hydroxybenzimidazol-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 118278454
3-(cyclopropylmethyl)-N-(6-imidazol-1-yl-3-pyridinyl)-7-methylimidazo[4,5-b]pyridin-5-amine
CID 118278495
7-[[3-(cyclopropylmethyl)-6-fluoroimidazo[4,5-b]pyridin-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 118278526
6-[[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]amino]-1-methyl-3,4-dihydroquinazolin-2-one
CID 118278467
4-(cyclopropylmethyl)-6-[[5-fluoro-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]pyrido[3,2-b][1,4]oxazin-3-one
CID 59405670
7-[[3-(2-cyclopropylethyl)-6-fluorobenzimidazol-5-yl]amino]-4-methyl-1,4-benzoxazin-3-one
CID 122688076
4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72931501

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one (CID 118278509) is 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one is CCN1C(=O)COc2cc(Nc3cc4c(ncn4CC4CC4)c(C)n3)cnc21.
What is the InChIKey of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ATZYALZITJWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-3-26-18(27)10-28-16-6-14(8-21-20(16)26)24-17-7-15-19(12(2)23-17)22-11-25(15)9-13-4-5-13/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,23,24).
What are the key properties of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one?
7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 378.44 g/mol, XLogP of 3.03, 5 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-ethylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 118278509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).