(1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide

C23H25F3N6O2 — CID 138587389

IUPAC(1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1ncc(-c2cnc3cnc(NC(=O)N4[C@@H]5CC[C@H]4CC(NCCC(F)(F)F)C5)cc3c2)o1
InChIInChI=1S/C23H25F3N6O2/c1-13-28-12-20(34-13)15-6-14-7-21(30-11-19(14)29-10-15)31-22(33)32-17-2-3-18(32)9-16(8-17)27-5-4-23(24,25)26/h6-7,10-12,16-18,27H,2-5,8-9H2,1H3,(H,30,31,33)/t16?,17-,18+
InChIKeyUJULOGQANQBUCS-AYHJJNSGSA-N
MW474.49 g/mol
LogP4.66
Rot. Bonds5

About (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide

(1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 138587389) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID138587389
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name(1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1ncc(-c2cnc3cnc(NC(=O)N4[C@@H]5CC[C@H]4CC(NCCC(F)(F)F)C5)cc3c2)o1
InChIInChI=1S/C23H25F3N6O2/c1-13-28-12-20(34-13)15-6-14-7-21(30-11-19(14)29-10-15)31-22(33)32-17-2-3-18(32)9-16(8-17)27-5-4-23(24,25)26/h6-7,10-12,16-18,27H,2-5,8-9H2,1H3,(H,30,31,33)/t16?,17-,18+
InChIKeyUJULOGQANQBUCS-AYHJJNSGSA-N
XLogP4.66
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 138587389) is (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide is Cc1ncc(-c2cnc3cnc(NC(=O)N4[C@@H]5CC[C@H]4CC(NCCC(F)(F)F)C5)cc3c2)o1.
What is the InChIKey of (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UJULOGQANQBUCS-AYHJJNSGSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-13-28-12-20(34-13)15-6-14-7-21(30-11-19(14)29-10-15)31-22(33)32-17-2-3-18(32)9-16(8-17)27-5-4-23(24,25)26/h6-7,10-12,16-18,27H,2-5,8-9H2,1H3,(H,30,31,33)/t16?,17-,18+.
What are the key properties of (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]-3-(3,3,3-trifluoropropylamino)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 138587389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).