3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one

C21H30N4O2 — CID 53191211

IUPAC3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCn1c(C2CCN(C(=O)CCC3CCCC3)C2)nc2cccnc21
InChIInChI=1S/C21H30N4O2/c1-27-14-13-25-20(23-18-7-4-11-22-21(18)25)17-10-12-24(15-17)19(26)9-8-16-5-2-3-6-16/h4,7,11,16-17H,2-3,5-6,8-10,12-15H2,1H3
InChIKeyMXAKYCQXOLLWKL-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.36
Rot. Bonds7

About 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 53191211) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID53191211
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCOCCn1c(C2CCN(C(=O)CCC3CCCC3)C2)nc2cccnc21
InChIInChI=1S/C21H30N4O2/c1-27-14-13-25-20(23-18-7-4-11-22-21(18)25)17-10-12-24(15-17)19(26)9-8-16-5-2-3-6-16/h4,7,11,16-17H,2-3,5-6,8-10,12-15H2,1H3
InChIKeyMXAKYCQXOLLWKL-UHFFFAOYSA-N
XLogP3.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110214
(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 95110202
(2-ethoxyphenyl)-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 53191203
3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160046
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 95110139
3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 95110122
2-(1-benzylsulfonylpyrrolidin-3-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 87054401
1-[(3R)-3-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 97429258
2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117161749
bis((E)-but-2-enedioic acid);3-(2-ethoxyethyl)-2-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-b]pyridine
CID 67923199
2-(1-ethylpiperidin-2-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117162752

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 53191211) is 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one is COCCn1c(C2CCN(C(=O)CCC3CCCC3)C2)nc2cccnc21.
What is the InChIKey of 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is MXAKYCQXOLLWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-27-14-13-25-20(23-18-7-4-11-22-21(18)25)17-10-12-24(15-17)19(26)9-8-16-5-2-3-6-16/h4,7,11,16-17H,2-3,5-6,8-10,12-15H2,1H3.
What are the key properties of 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 370.50 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 53191211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).