3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine

C19H24N6O — CID 154761736

IUPAC3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESCO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(CCn2ccnc2C)C1
InChIInChI=1S/C19H24N6O/c1-14-21-6-7-24(14)8-9-25-13-16(26-2)10-18(25)19-22-12-17(23-19)15-4-3-5-20-11-15/h3-7,11-12,16,18H,8-10,13H2,1-2H3,(H,22,23)/t16-,18+/m1/s1
InChIKeyZFJWSEWLAYQIHQ-AEFFLSMTSA-N
MW352.44 g/mol
LogP2.44
Rot. Bonds6

About 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine

3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine (PubChem CID 154761736) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
PubChem CID154761736
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
SMILESCO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(CCn2ccnc2C)C1
InChIInChI=1S/C19H24N6O/c1-14-21-6-7-24(14)8-9-25-13-16(26-2)10-18(25)19-22-12-17(23-19)15-4-3-5-20-11-15/h3-7,11-12,16,18H,8-10,13H2,1-2H3,(H,22,23)/t16-,18+/m1/s1
InChIKeyZFJWSEWLAYQIHQ-AEFFLSMTSA-N
XLogP2.44
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 154761735
2-(2,4-dichlorophenyl)-1-[(2S,4R)-4-methoxy-2-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 99815930
4-(2,4-difluorophenoxy)-1-[(2R,4R)-4-methoxy-2-(5-pyridin-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 99815932
1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone
CID 155796231
(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694177
3-[2-[(2S,4R)-4-(2-methoxyethoxy)pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 129096472
4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 45176766
4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 78151185
(3R)-4-[(2-fluorophenyl)methyl]-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694185
4-piperidin-4-yl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 162798803
3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
CID 167827199
tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methoxypyrrolidine-1-carboxylate
CID 56962039

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine?
The IUPAC name of 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine (CID 154761736) is 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine is CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(CCn2ccnc2C)C1.
What is the InChIKey of 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine?
The InChIKey is ZFJWSEWLAYQIHQ-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14-21-6-7-24(14)8-9-25-13-16(26-2)10-18(25)19-22-12-17(23-19)15-4-3-5-20-11-15/h3-7,11-12,16,18H,8-10,13H2,1-2H3,(H,22,23)/t16-,18+/m1/s1.
What are the key properties of 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine?
3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine has a molecular weight of 352.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 154761736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).