(4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

C23H29N5OS — CID 55584127

IUPAC(4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCN(C4CCCC4)CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H29N5OS/c1-16(2)28-22-19(15-24-28)18(14-20(25-22)21-8-5-13-30-21)23(29)27-11-9-26(10-12-27)17-6-3-4-7-17/h5,8,13-17H,3-4,6-7,9-12H2,1-2H3
InChIKeyHRQUOXCUFORYEB-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.44
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

(4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 55584127) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID55584127
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCC(C)n1ncc2c(C(=O)N3CCN(C4CCCC4)CC3)cc(-c3cccs3)nc21
InChIInChI=1S/C23H29N5OS/c1-16(2)28-22-19(15-24-28)18(14-20(25-22)21-8-5-13-30-21)23(29)27-11-9-26(10-12-27)17-6-3-4-7-17/h5,8,13-17H,3-4,6-7,9-12H2,1-2H3
InChIKeyHRQUOXCUFORYEB-UHFFFAOYSA-N
XLogP4.44
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119372936
tert-butyl 4-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 31122199
(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 35349590
(2R)-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371797
(3S,4S)-4-methyl-1-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952362
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119631004
[2-(aminomethyl)pyrrolidin-1-yl]-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119631003
N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55563926
1-propan-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24657561
N,N-dimethyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46674063
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 26004820
1-[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 34840164

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 55584127) is (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is CC(C)n1ncc2c(C(=O)N3CCN(C4CCCC4)CC3)cc(-c3cccs3)nc21.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is HRQUOXCUFORYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-16(2)28-22-19(15-24-28)18(14-20(25-22)21-8-5-13-30-21)23(29)27-11-9-26(10-12-27)17-6-3-4-7-17/h5,8,13-17H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
(4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 423.59 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 55584127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).