(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one

C18H26N4O2 — CID 97429635

IUPAC(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
SMILESCC[C@@H](C)C(=O)N1CC[C@@H](c2nc3ccncc3n2CCOC)C1
InChIInChI=1S/C18H26N4O2/c1-4-13(2)18(23)21-8-6-14(12-21)17-20-15-5-7-19-11-16(15)22(17)9-10-24-3/h5,7,11,13-14H,4,6,8-10,12H2,1-3H3/t13-,14-/m1/s1
InChIKeyJEIANNPADGTSHL-ZIAGYGMSSA-N
MW330.43 g/mol
LogP2.44
Rot. Bonds6

About (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one

(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one (PubChem CID 97429635) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
PubChem CID97429635
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
SMILESCC[C@@H](C)C(=O)N1CC[C@@H](c2nc3ccncc3n2CCOC)C1
InChIInChI=1S/C18H26N4O2/c1-4-13(2)18(23)21-8-6-14(12-21)17-20-15-5-7-19-11-16(15)22(17)9-10-24-3/h5,7,11,13-14H,4,6,8-10,12H2,1-3H3/t13-,14-/m1/s1
InChIKeyJEIANNPADGTSHL-ZIAGYGMSSA-N
XLogP2.44
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 53194816
N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
CID 53194824
1-[3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 83272601
1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 97429398
3-(2-methoxyethyl)-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 95112673
3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 83273802
(2-ethylpyrazol-3-yl)-[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 83272689
2-(4-methoxyphenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275837
(2-methylphenyl)-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 97429597
cyclobutyl-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 83272928
(4-methoxyphenyl)-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429291
[3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 71835904

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one (CID 97429635) is (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one is CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3ccncc3n2CCOC)C1.
What is the InChIKey of (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one?
The InChIKey is JEIANNPADGTSHL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-13(2)18(23)21-8-6-14(12-21)17-20-15-5-7-19-11-16(15)22(17)9-10-24-3/h5,7,11,13-14H,4,6,8-10,12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one?
(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one has a molecular weight of 330.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 97429635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).