[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

C21H29N5O2 — CID 23627777

IUPAC[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccc(N3CCN(C4CCCC4)CC3)nc2[nH]1)N1CCC(O)C1
InChIInChI=1S/C21H29N5O2/c27-17-7-8-26(14-17)21(28)18-13-15-5-6-19(23-20(15)22-18)25-11-9-24(10-12-25)16-3-1-2-4-16/h5-6,13,16-17,27H,1-4,7-12,14H2,(H,22,23)
InChIKeyLNXHIESLYMFRML-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.83
Rot. Bonds3

About [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone

[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 23627777) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID23627777
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccc(N3CCN(C4CCCC4)CC3)nc2[nH]1)N1CCC(O)C1
InChIInChI=1S/C21H29N5O2/c27-17-7-8-26(14-17)21(28)18-13-15-5-6-19(23-20(15)22-18)25-11-9-24(10-12-25)16-3-1-2-4-16/h5-6,13,16-17,27H,1-4,7-12,14H2,(H,22,23)
InChIKeyLNXHIESLYMFRML-UHFFFAOYSA-N
XLogP1.83
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 141174943
(4,5-dichloro-1H-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260480
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
[5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 23582479
[11-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-5,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 147868750
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
(6-hydroxy-1H-indol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 70013039
(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63117526
6-[4-(thian-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 56913520
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 50816910

Frequently Asked Questions

What is the IUPAC name of [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 23627777) is [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1cc2ccc(N3CCN(C4CCCC4)CC3)nc2[nH]1)N1CCC(O)C1.
What is the InChIKey of [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is LNXHIESLYMFRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-17-7-8-26(14-17)21(28)18-13-15-5-6-19(23-20(15)22-18)25-11-9-24(10-12-25)16-3-1-2-4-16/h5-6,13,16-17,27H,1-4,7-12,14H2,(H,22,23).
What are the key properties of [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
[6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 383.50 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 23627777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).