4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C24H25F3N6O2 — CID 139339537

IUPAC4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCO[C@@H]1CCNC[C@H]1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(-c4c(C)noc4C)ccc23)n1
InChIInChI=1S/C24H25F3N6O2/c1-12-21(13(2)35-33-12)14-4-5-15-16(9-29-18(15)8-14)22-17(24(25,26)27)10-30-23(32-22)31-19-11-28-7-6-20(19)34-3/h4-5,8-10,19-20,28-29H,6-7,11H2,1-3H3,(H,30,31,32)/t19-,20-/m1/s1
InChIKeyBHIAAJUKQASBSR-WOJBJXKFSA-N
MW486.50 g/mol
LogP4.70
Rot. Bonds5

About 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 139339537) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID139339537
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCO[C@@H]1CCNC[C@H]1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(-c4c(C)noc4C)ccc23)n1
InChIInChI=1S/C24H25F3N6O2/c1-12-21(13(2)35-33-12)14-4-5-15-16(9-29-18(15)8-14)22-17(24(25,26)27)10-30-23(32-22)31-19-11-28-7-6-20(19)34-3/h4-5,8-10,19-20,28-29H,6-7,11H2,1-3H3,(H,30,31,32)/t19-,20-/m1/s1
InChIKeyBHIAAJUKQASBSR-WOJBJXKFSA-N
XLogP4.70
TPSA100.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 139339537) is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is CO[C@@H]1CCNC[C@H]1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(-c4c(C)noc4C)ccc23)n1.
What is the InChIKey of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BHIAAJUKQASBSR-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-12-21(13(2)35-33-12)14-4-5-15-16(9-29-18(15)8-14)22-17(24(25,26)27)10-30-23(32-22)31-19-11-28-7-6-20(19)34-3/h4-5,8-10,19-20,28-29H,6-7,11H2,1-3H3,(H,30,31,32)/t19-,20-/m1/s1.
What are the key properties of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 486.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N-[(3R,4R)-4-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 139339537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).