4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine

C18H22N6O — CID 146044872

IUPAC4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine
SMILESCOc1cc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)ccn1
InChIInChI=1S/C18H22N6O/c1-13-16(18(21-22(13)2)23-9-4-5-10-23)24-11-8-20-17(24)14-6-7-19-15(12-14)25-3/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyOIRQKFGZMOLJHK-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.59
Rot. Bonds4

About 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine

4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine (PubChem CID 146044872) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine.

Molecular Properties

Compound Name4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine
PubChem CID146044872
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine
SMILESCOc1cc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)ccn1
InChIInChI=1S/C18H22N6O/c1-13-16(18(21-22(13)2)23-9-4-5-10-23)24-11-8-20-17(24)14-6-7-19-15(12-14)25-3/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyOIRQKFGZMOLJHK-UHFFFAOYSA-N
XLogP2.59
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine?
The IUPAC name of 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine (CID 146044872) is 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine.
What is the SMILES notation for 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine?
The canonical SMILES for 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine is COc1cc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)ccn1.
What is the InChIKey of 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine?
The InChIKey is OIRQKFGZMOLJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-16(18(21-22(13)2)23-9-4-5-10-23)24-11-8-20-17(24)14-6-7-19-15(12-14)25-3/h6-8,11-12H,4-5,9-10H2,1-3H3.
What are the key properties of 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine?
4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine has a molecular weight of 338.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazol-2-yl]-2-methoxypyridine is sourced from PubChem (CID 146044872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).