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

C25H27FN4O — CID 155426012

IUPAC3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c([C@H]3CCCN3)c2)cc1-c1ccnc(F)c1
InChIInChI=1S/C25H27FN4O/c26-24-14-18(5-9-29-24)21-13-19(15-30-25(21)27)17-3-4-20(16-6-10-31-11-7-16)22(12-17)23-2-1-8-28-23/h3-5,9,12-16,23,28H,1-2,6-8,10-11H2,(H2,27,30)/t23-/m1/s1
InChIKeyCQYWFKZRGWZONR-HSZRJFAPSA-N
MW418.52 g/mol
LogP4.85
Rot. Bonds4

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

3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine (PubChem CID 155426012) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
PubChem CID155426012
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC Name3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c([C@H]3CCCN3)c2)cc1-c1ccnc(F)c1
InChIInChI=1S/C25H27FN4O/c26-24-14-18(5-9-29-24)21-13-19(15-30-25(21)27)17-3-4-20(16-6-10-31-11-7-16)22(12-17)23-2-1-8-28-23/h3-5,9,12-16,23,28H,1-2,6-8,10-11H2,(H2,27,30)/t23-/m1/s1
InChIKeyCQYWFKZRGWZONR-HSZRJFAPSA-N
XLogP4.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine with MolForge

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Related Compounds

3-(2-fluoro-4-pyridinyl)-5-[4-(oxetan-3-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
CID 155425819
3-(2-fluoro-4-pyridinyl)-5-[4-(4-methoxycyclohexyl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
CID 155425895
3-(2-fluoro-4-pyridinyl)-5-[3-[(6S)-6-methylmorpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
CID 155425820
3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
CID 155425715
5-[3-[(6R)-5-azaspiro[2.4]heptan-6-yl]-4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155425893
5-[3-[(2S,3S)-3-methylpyrrolidin-2-yl]-4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155425929
3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
CID 155425822
5-[4-(oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155426023
5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155744978
3-(5-fluoro-2-pyridinyl)-5-(8-pyrrolidin-2-yl-3,4-dihydro-1H-isochromen-6-yl)pyridin-2-amine
CID 170012166
5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine;1,4-oxazepane
CID 155744979
tert-butyl (2S)-2-[5-(6-amino-5-pyridin-4-yl-3-pyridinyl)-2-(oxan-4-yl)phenyl]pyrrolidine-1-carboxylate
CID 155425861

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine (CID 155426012) is 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(C3CCOCC3)c([C@H]3CCCN3)c2)cc1-c1ccnc(F)c1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The InChIKey is CQYWFKZRGWZONR-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27FN4O/c26-24-14-18(5-9-29-24)21-13-19(15-30-25(21)27)17-3-4-20(16-6-10-31-11-7-16)22(12-17)23-2-1-8-28-23/h3-5,9,12-16,23,28H,1-2,6-8,10-11H2,(H2,27,30)/t23-/m1/s1.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine has a molecular weight of 418.52 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 155426012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).