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

C24H26FN5O — CID 155426021

IUPAC3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(N3CCOCC3)c([C@@H]3CCCN3)c2)cc1-c1ccnc(F)c1
InChIInChI=1S/C24H26FN5O/c25-23-14-17(5-7-28-23)19-13-18(15-29-24(19)26)16-3-4-22(30-8-10-31-11-9-30)20(12-16)21-2-1-6-27-21/h3-5,7,12-15,21,27H,1-2,6,8-11H2,(H2,26,29)/t21-/m0/s1
InChIKeyMSVLCANBLDKCRF-NRFANRHFSA-N
MW419.50 g/mol
LogP3.79
Rot. Bonds4

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

3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine (PubChem CID 155426021) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
PubChem CID155426021
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(N3CCOCC3)c([C@@H]3CCCN3)c2)cc1-c1ccnc(F)c1
InChIInChI=1S/C24H26FN5O/c25-23-14-17(5-7-28-23)19-13-18(15-29-24(19)26)16-3-4-22(30-8-10-31-11-9-30)20(12-16)21-2-1-6-27-21/h3-5,7,12-15,21,27H,1-2,6,8-11H2,(H2,26,29)/t21-/m0/s1
InChIKeyMSVLCANBLDKCRF-NRFANRHFSA-N
XLogP3.79
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.79
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-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine (CID 155426021) is 3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(N3CCOCC3)c([C@@H]3CCCN3)c2)cc1-c1ccnc(F)c1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The InChIKey is MSVLCANBLDKCRF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26FN5O/c25-23-14-17(5-7-28-23)19-13-18(15-29-24(19)26)16-3-4-22(30-8-10-31-11-9-30)20(12-16)21-2-1-6-27-21/h3-5,7,12-15,21,27H,1-2,6,8-11H2,(H2,26,29)/t21-/m0/s1.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
3-(2-fluoro-4-pyridinyl)-5-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine has a molecular weight of 419.50 g/mol, XLogP of 3.79, 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-[4-morpholin-4-yl-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 155426021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).