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ANARVVNNNQSSPE-UHFFFAOYSA-N

C20H18F3N5O3 — CID 122688120

Data last refreshed: (MolForge compound catalog, from PubChem)

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 ANARVVNNNQSSPE-UHFFFAOYSA-N

ANARVVNNNQSSPE-UHFFFAOYSA-N (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 NameANARVVNNNQSSPE-UHFFFAOYSA-N
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

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Frequently Asked Questions

What is the IUPAC name of ANARVVNNNQSSPE-UHFFFAOYSA-N?
The IUPAC name of ANARVVNNNQSSPE-UHFFFAOYSA-N (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 ANARVVNNNQSSPE-UHFFFAOYSA-N?
The canonical SMILES for ANARVVNNNQSSPE-UHFFFAOYSA-N is CN1C(=O)COc2cc(Nc3cc4c(cc3OC(F)(F)F)ncn4CC3CC3)cnc21.
What is the InChIKey of ANARVVNNNQSSPE-UHFFFAOYSA-N?
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 ANARVVNNNQSSPE-UHFFFAOYSA-N?
ANARVVNNNQSSPE-UHFFFAOYSA-N 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 ANARVVNNNQSSPE-UHFFFAOYSA-N is sourced from PubChem (CID 122688120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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