7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

C19H17F3N6O2 — CID 162648466

IUPAC7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc(C(F)(F)F)c4ncn(CC5CC5)c4n3)cnc21
InChIInChI=1S/C19H17F3N6O2/c1-27-15(29)8-30-13-4-11(6-23-17(13)27)25-14-5-12(19(20,21)22)16-18(26-14)28(9-24-16)7-10-2-3-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,25,26)
InChIKeyCGUYUJDPUMBLNM-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.35
Rot. Bonds4

About 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 162648466) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID162648466
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC Name7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3cc(C(F)(F)F)c4ncn(CC5CC5)c4n3)cnc21
InChIInChI=1S/C19H17F3N6O2/c1-27-15(29)8-30-13-4-11(6-23-17(13)27)25-14-5-12(19(20,21)22)16-18(26-14)28(9-24-16)7-10-2-3-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,25,26)
InChIKeyCGUYUJDPUMBLNM-UHFFFAOYSA-N
XLogP3.35
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 162648466) is 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is CN1C(=O)COc2cc(Nc3cc(C(F)(F)F)c4ncn(CC5CC5)c4n3)cnc21.
What is the InChIKey of 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is CGUYUJDPUMBLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-27-15(29)8-30-13-4-11(6-23-17(13)27)25-14-5-12(19(20,21)22)16-18(26-14)28(9-24-16)7-10-2-3-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,25,26).
What are the key properties of 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 418.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(cyclopropylmethyl)-7-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 162648466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).