US9650336, Example 2

C22H23FN4O — CID 71550071

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncnc3)cc1C21C=C(F)C(N)=N1
InChIInChI=1S/C22H23FN4O/c1-28-17-4-6-21(7-5-17)9-15-3-2-14(16-11-25-13-26-12-16)8-18(15)22(21)10-19(23)20(24)27-22/h2-3,8,10-13,17H,4-7,9H2,1H3,(H2,24,27)
InChIKeyXCPNTAGKJZPLCP-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.69
Rot. Bonds2

About US9650336, Example 2

US9650336, Example 2 (PubChem CID 71550071) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol.

Molecular Properties

Compound NameUS9650336, Example 2
PubChem CID71550071
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncnc3)cc1C21C=C(F)C(N)=N1
InChIInChI=1S/C22H23FN4O/c1-28-17-4-6-21(7-5-17)9-15-3-2-14(16-11-25-13-26-12-16)8-18(15)22(21)10-19(23)20(24)27-22/h2-3,8,10-13,17H,4-7,9H2,1H3,(H2,24,27)
InChIKeyXCPNTAGKJZPLCP-UHFFFAOYSA-N
XLogP3.69
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze US9650336, Example 2 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azd3293
CID 57404290
Lanabecestat
CID 67979346
CID 57387166
CID 57387166
CID 71548079
CID 71548079
CID 132054828
CID 132054828
CID 132054950
CID 132054950
2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
CID 53494150
(4R)-2,2-dimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,4'-5H-1,3-oxazole]-2'-amine
CID 66683659
4'-Fluoro-2,2-dimethyl-6-(pyrimidin-5-yl)-2,3-dihydrospiro[indene-1,2'-pyrrol]-5'-amine
CID 71550203
CID 132054712
CID 132054712
CID 132054902
CID 132054902
CID 137638912
CID 137638912

Frequently Asked Questions

What is the IUPAC name of US9650336, Example 2?
The IUPAC name of US9650336, Example 2 (CID 71550071) is not available.
What is the SMILES notation for US9650336, Example 2?
The canonical SMILES for US9650336, Example 2 is COC1CCC2(CC1)Cc1ccc(-c3cncnc3)cc1C21C=C(F)C(N)=N1.
What is the InChIKey of US9650336, Example 2?
The InChIKey is XCPNTAGKJZPLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-28-17-4-6-21(7-5-17)9-15-3-2-14(16-11-25-13-26-12-16)8-18(15)22(21)10-19(23)20(24)27-22/h2-3,8,10-13,17H,4-7,9H2,1H3,(H2,24,27).
What are the key properties of US9650336, Example 2?
US9650336, Example 2 has a molecular weight of 378.45 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for US9650336, Example 2 is sourced from PubChem (CID 71550071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).