[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone

C24H24FN5O2 — CID 90413336

IUPAC[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1
InChIInChI=1S/C24H24FN5O2/c1-14-4-3-9-26-21(14)19-7-5-15(2)29-22(19)23(31)30-18-6-8-20(30)16(10-18)13-32-24-27-11-17(25)12-28-24/h3-5,7,9,11-12,16,18,20H,6,8,10,13H2,1-2H3
InChIKeyRNRTVCRQNQUCFQ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.76
Rot. Bonds5

About [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone

[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone (PubChem CID 90413336) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone
PubChem CID90413336
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1
InChIInChI=1S/C24H24FN5O2/c1-14-4-3-9-26-21(14)19-7-5-15(2)29-22(19)23(31)30-18-6-8-20(30)16(10-18)13-32-24-27-11-17(25)12-28-24/h3-5,7,9,11-12,16,18,20H,6,8,10,13H2,1-2H3
InChIKeyRNRTVCRQNQUCFQ-UHFFFAOYSA-N
XLogP3.76
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone?
The IUPAC name of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone (CID 90413336) is [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone?
The canonical SMILES for [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone is Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1.
What is the InChIKey of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone?
The InChIKey is RNRTVCRQNQUCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-14-4-3-9-26-21(14)19-7-5-15(2)29-22(19)23(31)30-18-6-8-20(30)16(10-18)13-32-24-27-11-17(25)12-28-24/h3-5,7,9,11-12,16,18,20H,6,8,10,13H2,1-2H3.
What are the key properties of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone?
[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone has a molecular weight of 433.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone is sourced from PubChem (CID 90413336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).