4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine

C20H22N4O — CID 154880789

IUPAC4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
SMILESCc1ccncc1-c1ccc(OCC2CN2Cc2cnn(C)c2)cc1
InChIInChI=1S/C20H22N4O/c1-15-7-8-21-10-20(15)17-3-5-19(6-4-17)25-14-18-13-24(18)12-16-9-22-23(2)11-16/h3-11,18H,12-14H2,1-2H3
InChIKeyRTCVPWOMPDMKSE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.05
Rot. Bonds6

About 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine

4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine (PubChem CID 154880789) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
PubChem CID154880789
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
SMILESCc1ccncc1-c1ccc(OCC2CN2Cc2cnn(C)c2)cc1
InChIInChI=1S/C20H22N4O/c1-15-7-8-21-10-20(15)17-3-5-19(6-4-17)25-14-18-13-24(18)12-16-9-22-23(2)11-16/h3-11,18H,12-14H2,1-2H3
InChIKeyRTCVPWOMPDMKSE-UHFFFAOYSA-N
XLogP3.05
TPSA42.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenoxy]pyrazine
CID 154881106
4-[3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
CID 154881328
3-[2-fluoro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine
CID 154881104
(4-methylpiperazin-1-yl)-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]methanone
CID 154880845
methyl 3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]naphthalene-2-carboxylate
CID 154880799
8-chloro-3-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]quinoline
CID 154880095
4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine
CID 154880827
4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
CID 154830506
5-(phenoxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 18538363
1-methyl-N-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyrazole-4-carboxamide
CID 154881275
3-[4-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]phenyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 154880816
1-benzyl-2-[[4-[2-[4-[(1-benzylaziridin-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]aziridine
CID 137491895

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
The IUPAC name of 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine (CID 154880789) is 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine is Cc1ccncc1-c1ccc(OCC2CN2Cc2cnn(C)c2)cc1.
What is the InChIKey of 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
The InChIKey is RTCVPWOMPDMKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-7-8-21-10-20(15)17-3-5-19(6-4-17)25-14-18-13-24(18)12-16-9-22-23(2)11-16/h3-11,18H,12-14H2,1-2H3.
What are the key properties of 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine?
4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine has a molecular weight of 334.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-[[1-[(1-methylpyrazol-4-yl)methyl]aziridin-2-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 154880789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).