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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Related Compounds

2-[4-[2-(2-methoxy-4-pyridinyl)imidazol-1-yl]piperidin-1-yl]pyrimidine
CID 154566004
4-(2,4-dimethylphenyl)-2-methoxypyridine
CID 90207417
3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 165370393
4-(2,6-dichlorophenyl)-2-methoxypyridine
CID 118852441
1-[4-(methoxymethyl)-1,5-dimethylpyrazol-3-yl]piperidine
CID 172796339
ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane
CID 142892190
2-(2-methoxy-4-pyridinyl)-4-methyl-1,4-oxazepane
CID 177322364
6-(2-methoxy-4-pyridinyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 177350738
1,5-dimethyl-3-piperidin-1-ylpyrazol-4-amine
CID 50896531
4-(2-fluoro-3-methylphenyl)-2-methoxypyridine
CID 178155180
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
(2S)-2-(2-methoxy-4-pyridinyl)-4-methylmorpholine
CID 177322318

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).