6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C22H25N7 — CID 165426292

IUPAC6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCC[C@H]1Cn1ccnc1-c1ccc(-c2cnc3nc(C)nn3c2)cc1
InChIInChI=1S/C22H25N7/c1-3-27-11-4-5-20(27)15-28-12-10-23-21(28)18-8-6-17(7-9-18)19-13-24-22-25-16(2)26-29(22)14-19/h6-10,12-14,20H,3-5,11,15H2,1-2H3/t20-/m0/s1
InChIKeyWHYRMHJSGXLMBA-FQEVSTJZSA-N
MW387.49 g/mol
LogP3.45
Rot. Bonds5

About 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 165426292) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID165426292
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCN1CCC[C@H]1Cn1ccnc1-c1ccc(-c2cnc3nc(C)nn3c2)cc1
InChIInChI=1S/C22H25N7/c1-3-27-11-4-5-20(27)15-28-12-10-23-21(28)18-8-6-17(7-9-18)19-13-24-22-25-16(2)26-29(22)14-19/h6-10,12-14,20H,3-5,11,15H2,1-2H3/t20-/m0/s1
InChIKeyWHYRMHJSGXLMBA-FQEVSTJZSA-N
XLogP3.45
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one
CID 166620077
2-[1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95897586
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117166193
3-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;formic acid
CID 154923830
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine
CID 169188321
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106559626
4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline
CID 95630596
7-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134466

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 165426292) is 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCN1CCC[C@H]1Cn1ccnc1-c1ccc(-c2cnc3nc(C)nn3c2)cc1.
What is the InChIKey of 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WHYRMHJSGXLMBA-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N7/c1-3-27-11-4-5-20(27)15-28-12-10-23-21(28)18-8-6-17(7-9-18)19-13-24-22-25-16(2)26-29(22)14-19/h6-10,12-14,20H,3-5,11,15H2,1-2H3/t20-/m0/s1.
What are the key properties of 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 387.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]phenyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 165426292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).