3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine

C20H28N4O — CID 167990187

IUPAC3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESCc1nn(C2CCOCC2)cc1CN1CC(C)CC1c1cccnc1
InChIInChI=1S/C20H28N4O/c1-15-10-20(17-4-3-7-21-11-17)23(12-15)13-18-14-24(22-16(18)2)19-5-8-25-9-6-19/h3-4,7,11,14-15,19-20H,5-6,8-10,12-13H2,1-2H3
InChIKeyDKMBTWYXBQIFAV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.52
Rot. Bonds4

About 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine

3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine (PubChem CID 167990187) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
PubChem CID167990187
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
SMILESCc1nn(C2CCOCC2)cc1CN1CC(C)CC1c1cccnc1
InChIInChI=1S/C20H28N4O/c1-15-10-20(17-4-3-7-21-11-17)23(12-15)13-18-14-24(22-16(18)2)19-5-8-25-9-6-19/h3-4,7,11,14-15,19-20H,5-6,8-10,12-13H2,1-2H3
InChIKeyDKMBTWYXBQIFAV-UHFFFAOYSA-N
XLogP3.52
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine with MolForge

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Related Compounds

3-[(2S,4R)-4-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 99832102
5-[(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120903406
3-[(2S,4S)-1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-4-methylpyrrolidin-2-yl]pyridine
CID 99791847
2-methoxy-4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenol
CID 99842894
2-[4-[[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 99788164
1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767678
1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767925
(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine
CID 102052664
4-[6-[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine
CID 124861637
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine (CID 167990187) is 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine is Cc1nn(C2CCOCC2)cc1CN1CC(C)CC1c1cccnc1.
What is the InChIKey of 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is DKMBTWYXBQIFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-10-20(17-4-3-7-21-11-17)23(12-15)13-18-14-24(22-16(18)2)19-5-8-25-9-6-19/h3-4,7,11,14-15,19-20H,5-6,8-10,12-13H2,1-2H3.
What are the key properties of 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine?
3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 340.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-1-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 167990187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).