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

C24H24FN5O — CID 130231661

IUPAC[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(NC2CC3CC2N(C(=O)c2ncc(C)cc2-c2ncccc2F)C3)nc1
InChIInChI=1S/C24H24FN5O/c1-14-5-6-21(27-11-14)29-19-9-16-10-20(19)30(13-16)24(31)23-17(8-15(2)12-28-23)22-18(25)4-3-7-26-22/h3-8,11-12,16,19-20H,9-10,13H2,1-2H3,(H,27,29)
InChIKeyKDXPTGMKKPRQLY-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.01
Rot. Bonds4

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

[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 130231661) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID130231661
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(NC2CC3CC2N(C(=O)c2ncc(C)cc2-c2ncccc2F)C3)nc1
InChIInChI=1S/C24H24FN5O/c1-14-5-6-21(27-11-14)29-19-9-16-10-20(19)30(13-16)24(31)23-17(8-15(2)12-28-23)22-18(25)4-3-7-26-22/h3-8,11-12,16,19-20H,9-10,13H2,1-2H3,(H,27,29)
InChIKeyKDXPTGMKKPRQLY-UHFFFAOYSA-N
XLogP4.01
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 130231661) is [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(NC2CC3CC2N(C(=O)c2ncc(C)cc2-c2ncccc2F)C3)nc1.
What is the InChIKey of [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is KDXPTGMKKPRQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-14-5-6-21(27-11-14)29-19-9-16-10-20(19)30(13-16)24(31)23-17(8-15(2)12-28-23)22-18(25)4-3-7-26-22/h3-8,11-12,16,19-20H,9-10,13H2,1-2H3,(H,27,29).
What are the key properties of [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 417.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-2-pyridinyl)-5-methyl-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 130231661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).