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

C20H18F3N5O3 — CID 122688120

IUPAC7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc4c(cc3OC(F)(F)F)ncn4CC3CC3)cnc21
InChIInChI=1S/C20H18F3N5O3/c1-27-18(29)9-30-17-4-12(7-24-19(17)27)26-14-5-15-13(6-16(14)31-20(21,22)23)25-10-28(15)8-11-2-3-11/h4-7,10-11,26H,2-3,8-9H2,1H3
InChIKeyANARVVNNNQSSPE-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.84
Rot. Bonds5

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

7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 122688120) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID122688120
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc4c(cc3OC(F)(F)F)ncn4CC3CC3)cnc21
InChIInChI=1S/C20H18F3N5O3/c1-27-18(29)9-30-17-4-12(7-24-19(17)27)26-14-5-15-13(6-16(14)31-20(21,22)23)25-10-28(15)8-11-2-3-11/h4-7,10-11,26H,2-3,8-9H2,1H3
InChIKeyANARVVNNNQSSPE-UHFFFAOYSA-N
XLogP3.84
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Related Compounds

N-[4-[1-methyl-2-[3-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568471
N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568562
7-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-4H-1,4-benzoxazin-3-one
CID 146316064
Pruvonertinib
CID 154593283
(E)-4-(dimethylamino)-N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide
CID 57392994
N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-4-morpholin-4-ylbut-2-ynamide
CID 57396491
N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-4-piperidin-1-ylbut-2-ynamide
CID 57403447
1-[4-[4-[(5-Fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56673688
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56673689
1-[4-[4-[[4-Imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56683651
8-(3,5-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 91755037
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118051801

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 122688120) is 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is CN1C(=O)COc2cc(Nc3cc4c(cc3OC(F)(F)F)ncn4CC3CC3)cnc21.
What is the InChIKey of 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ANARVVNNNQSSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-27-18(29)9-30-17-4-12(7-24-19(17)27)26-14-5-15-13(6-16(14)31-20(21,22)23)25-10-28(15)8-11-2-3-11/h4-7,10-11,26H,2-3,8-9H2,1H3.
What are the key properties of 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 433.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(cyclopropylmethyl)-6-(trifluoromethoxy)benzimidazol-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 122688120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).