(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C22H23N5O2 — CID 90411120

IUPAC(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1
InChIInChI=1S/C22H23N5O2/c1-15-6-8-19(26-12-4-11-24-26)21(25-15)22(28)27-17-7-9-18(27)16(13-17)14-29-20-5-2-3-10-23-20/h2-6,8,10-12,16-18H,7,9,13-14H2,1H3
InChIKeyZWQZGMRXIPTTDL-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.04
Rot. Bonds5

About (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 90411120) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID90411120
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1
InChIInChI=1S/C22H23N5O2/c1-15-6-8-19(26-12-4-11-24-26)21(25-15)22(28)27-17-7-9-18(27)16(13-17)14-29-20-5-2-3-10-23-20/h2-6,8,10-12,16-18H,7,9,13-14H2,1H3
InChIKeyZWQZGMRXIPTTDL-UHFFFAOYSA-N
XLogP3.04
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 90411120) is (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1ccc(-n2cccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.
What is the InChIKey of (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is ZWQZGMRXIPTTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-6-8-19(26-12-4-11-24-26)21(25-15)22(28)27-17-7-9-18(27)16(13-17)14-29-20-5-2-3-10-23-20/h2-6,8,10-12,16-18H,7,9,13-14H2,1H3.
What are the key properties of (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyrazol-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 90411120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).