5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C24H26F3N7O2 — CID 59507700

IUPAC5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(-c3cncc(OC4CCNCC4)c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H26F3N7O2/c25-24(26,27)19-10-22(28)31-14-18(19)21-11-20(32-23(33-21)34-5-7-35-8-6-34)15-9-17(13-30-12-15)36-16-1-3-29-4-2-16/h9-14,16,29H,1-8H2,(H2,28,31)
InChIKeyHIJVCZGUPHMXGD-UHFFFAOYSA-N
MW501.51 g/mol
LogP3.17
Rot. Bonds5

About 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507700) has the molecular formula C24H26F3N7O2 and a molecular weight of 501.51 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507700
Molecular FormulaC24H26F3N7O2
Molecular Weight501.51 g/mol
Exact Mass501.21
IUPAC Name5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(-c3cncc(OC4CCNCC4)c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H26F3N7O2/c25-24(26,27)19-10-22(28)31-14-18(19)21-11-20(32-23(33-21)34-5-7-35-8-6-34)15-9-17(13-30-12-15)36-16-1-3-29-4-2-16/h9-14,16,29H,1-8H2,(H2,28,31)
InChIKeyHIJVCZGUPHMXGD-UHFFFAOYSA-N
XLogP3.17
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine 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 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507700) is 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(-c3cncc(OC4CCNCC4)c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HIJVCZGUPHMXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O2/c25-24(26,27)19-10-22(28)31-14-18(19)21-11-20(32-23(33-21)34-5-7-35-8-6-34)15-9-17(13-30-12-15)36-16-1-3-29-4-2-16/h9-14,16,29H,1-8H2,(H2,28,31).
What are the key properties of 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 501.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).