cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

C22H27N3O3S — CID 124971996

IUPACcyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1sc2ncccc2c1[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CCOCC1
InChIInChI=1S/C22H27N3O3S/c26-21(15-4-1-2-5-15)25-9-7-16(14-25)18-17-6-3-8-23-20(17)29-19(18)22(27)24-10-12-28-13-11-24/h3,6,8,15-16H,1-2,4-5,7,9-14H2/t16-/m1/s1
InChIKeyKAAVSGKCTICGAX-MRXNPFEDSA-N
MW413.54 g/mol
LogP3.27
Rot. Bonds3

About cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 124971996) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID124971996
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Namecyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1sc2ncccc2c1[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CCOCC1
InChIInChI=1S/C22H27N3O3S/c26-21(15-4-1-2-5-15)25-9-7-16(14-25)18-17-6-3-8-23-20(17)29-19(18)22(27)24-10-12-28-13-11-24/h3,6,8,15-16H,1-2,4-5,7,9-14H2/t16-/m1/s1
InChIKeyKAAVSGKCTICGAX-MRXNPFEDSA-N
XLogP3.27
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 124971996) is cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is O=C(c1sc2ncccc2c1[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CCOCC1.
What is the InChIKey of cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is KAAVSGKCTICGAX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O3S/c26-21(15-4-1-2-5-15)25-9-7-16(14-25)18-17-6-3-8-23-20(17)29-19(18)22(27)24-10-12-28-13-11-24/h3,6,8,15-16H,1-2,4-5,7,9-14H2/t16-/m1/s1.
What are the key properties of cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 413.54 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124971996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).