1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

C23H24N4O3 — CID 53186799

IUPAC1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(n2c(C3CCCC3)nc3cccnc32)C1
InChIInChI=1S/C23H24N4O3/c28-23(16-7-8-19-20(12-16)30-14-29-19)26-11-9-17(13-26)27-21(15-4-1-2-5-15)25-18-6-3-10-24-22(18)27/h3,6-8,10,12,15,17H,1-2,4-5,9,11,13-14H2
InChIKeyDUGRECDIDQJZQS-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.90
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 53186799) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID53186799
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(n2c(C3CCCC3)nc3cccnc32)C1
InChIInChI=1S/C23H24N4O3/c28-23(16-7-8-19-20(12-16)30-14-29-19)26-11-9-17(13-26)27-21(15-4-1-2-5-15)25-18-6-3-10-24-22(18)27/h3,6-8,10,12,15,17H,1-2,4-5,9,11,13-14H2
InChIKeyDUGRECDIDQJZQS-UHFFFAOYSA-N
XLogP3.90
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 53186799) is 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCC(n2c(C3CCCC3)nc3cccnc32)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DUGRECDIDQJZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-23(16-7-8-19-20(12-16)30-14-29-19)26-11-9-17(13-26)27-21(15-4-1-2-5-15)25-18-6-3-10-24-22(18)27/h3,6-8,10,12,15,17H,1-2,4-5,9,11,13-14H2.
What are the key properties of 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53186799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).