1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine

C23H31N5O — CID 175820995

IUPAC1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine
SMILESCCOC[C@]1(Cn2cnc3cnccc32)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C23H31N5O/c1-5-29-16-23(14-27-17-26-20-13-24-10-8-21(20)27)9-11-28(15-23)22(3,4)19-7-6-18(2)25-12-19/h6-8,10,12-13,17H,5,9,11,14-16H2,1-4H3/t23-/m0/s1
InChIKeyIQWSPEKFBYNZFR-QHCPKHFHSA-N
MW393.54 g/mol
LogP3.80
Rot. Bonds7

About 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine

1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine (PubChem CID 175820995) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine
PubChem CID175820995
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine
SMILESCCOC[C@]1(Cn2cnc3cnccc32)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C23H31N5O/c1-5-29-16-23(14-27-17-26-20-13-24-10-8-21(20)27)9-11-28(15-23)22(3,4)19-7-6-18(2)25-12-19/h6-8,10,12-13,17H,5,9,11,14-16H2,1-4H3/t23-/m0/s1
InChIKeyIQWSPEKFBYNZFR-QHCPKHFHSA-N
XLogP3.80
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175820994
5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 135322558
1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-3-ethyl-5,6-difluorobenzimidazol-2-one
CID 175820961
2-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 166506707
1-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-methylurea
CID 166506621
7-[2-[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5-fluorothieno[3,4-b]pyrazine
CID 175820651
5-[2-[3-[2-(4-chlorothiophen-3-yl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 162430520
5-[2-[3-(ethoxymethyl)-3-[2-(4-isocyanothiophen-3-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 166571768
5-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one
CID 166506556
N-[[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]-N-[2-(methylamino)phenyl]formamide
CID 162430689
1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5,6-difluoro-3-(2-methylpropyl)benzimidazol-2-one
CID 162430367
4-[2-[(3R)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2,2,2-trifluoroethoxymethyl)pyrrolidin-3-yl]ethyl]benzonitrile
CID 172512404

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine (CID 175820995) is 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine is CCOC[C@]1(Cn2cnc3cnccc32)CCN(C(C)(C)c2ccc(C)nc2)C1.
What is the InChIKey of 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is IQWSPEKFBYNZFR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H31N5O/c1-5-29-16-23(14-27-17-26-20-13-24-10-8-21(20)27)9-11-28(15-23)22(3,4)19-7-6-18(2)25-12-19/h6-8,10,12-13,17H,5,9,11,14-16H2,1-4H3/t23-/m0/s1.
What are the key properties of 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine?
1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 393.54 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 175820995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).