[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone

C23H21F2N5O — CID 126745424

IUPAC[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone
SMILESCc1cnc(NC2CC3CC2N(C(=O)c2ccccc2-c2ncc(F)cn2)C3)c(F)c1
InChIInChI=1S/C23H21F2N5O/c1-13-6-18(25)22(26-9-13)29-19-7-14-8-20(19)30(12-14)23(31)17-5-3-2-4-16(17)21-27-10-15(24)11-28-21/h2-6,9-11,14,19-20H,7-8,12H2,1H3,(H,26,29)
InChIKeyMIFGBANDJJTKDP-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.84
Rot. Bonds4

About [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone

[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone (PubChem CID 126745424) has the molecular formula C23H21F2N5O and a molecular weight of 421.45 g/mol. Its IUPAC name is [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone
PubChem CID126745424
Molecular FormulaC23H21F2N5O
Molecular Weight421.45 g/mol
Exact Mass421.17
IUPAC Name[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone
SMILESCc1cnc(NC2CC3CC2N(C(=O)c2ccccc2-c2ncc(F)cn2)C3)c(F)c1
InChIInChI=1S/C23H21F2N5O/c1-13-6-18(25)22(26-9-13)29-19-7-14-8-20(19)30(12-14)23(31)17-5-3-2-4-16(17)21-27-10-15(24)11-28-21/h2-6,9-11,14,19-20H,7-8,12H2,1H3,(H,26,29)
InChIKeyMIFGBANDJJTKDP-UHFFFAOYSA-N
XLogP3.84
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone 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 [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone?
The IUPAC name of [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone (CID 126745424) is [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone.
What is the SMILES notation for [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone?
The canonical SMILES for [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone is Cc1cnc(NC2CC3CC2N(C(=O)c2ccccc2-c2ncc(F)cn2)C3)c(F)c1.
What is the InChIKey of [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone?
The InChIKey is MIFGBANDJJTKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O/c1-13-6-18(25)22(26-9-13)29-19-7-14-8-20(19)30(12-14)23(31)17-5-3-2-4-16(17)21-27-10-15(24)11-28-21/h2-6,9-11,14,19-20H,7-8,12H2,1H3,(H,26,29).
What are the key properties of [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone?
[6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone has a molecular weight of 421.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-fluoro-5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone is sourced from PubChem (CID 126745424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).