3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine

C25H27FN4O2 — CID 155425680

IUPAC3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c([C@@H]3COCCN3)c2)cc1-c1ccnc(F)c1
InChIInChI=1S/C25H27FN4O2/c26-24-13-18(3-6-29-24)21-12-19(14-30-25(21)27)17-1-2-20(16-4-8-31-9-5-16)22(11-17)23-15-32-10-7-28-23/h1-3,6,11-14,16,23,28H,4-5,7-10,15H2,(H2,27,30)/t23-/m0/s1
InChIKeyCVQQGEXBZWLONM-QHCPKHFHSA-N
MW434.52 g/mol
LogP4.09
Rot. Bonds4

About 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine

3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine (PubChem CID 155425680) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
PubChem CID155425680
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c([C@@H]3COCCN3)c2)cc1-c1ccnc(F)c1
InChIInChI=1S/C25H27FN4O2/c26-24-13-18(3-6-29-24)21-12-19(14-30-25(21)27)17-1-2-20(16-4-8-31-9-5-16)22(11-17)23-15-32-10-7-28-23/h1-3,6,11-14,16,23,28H,4-5,7-10,15H2,(H2,27,30)/t23-/m0/s1
InChIKeyCVQQGEXBZWLONM-QHCPKHFHSA-N
XLogP4.09
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine (CID 155425680) is 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(C3CCOCC3)c([C@@H]3COCCN3)c2)cc1-c1ccnc(F)c1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine?
The InChIKey is CVQQGEXBZWLONM-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27FN4O2/c26-24-13-18(3-6-29-24)21-12-19(14-30-25(21)27)17-1-2-20(16-4-8-31-9-5-16)22(11-17)23-15-32-10-7-28-23/h1-3,6,11-14,16,23,28H,4-5,7-10,15H2,(H2,27,30)/t23-/m0/s1.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine?
3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine has a molecular weight of 434.52 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 155425680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).