3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine

C23H29N5O — CID 95855360

IUPAC3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine
SMILESc1ccc(OCCn2nc(C3CCN(C4CCCC4)CC3)c3nccnc32)cc1
InChIInChI=1S/C23H29N5O/c1-2-8-20(9-3-1)29-17-16-28-23-22(24-12-13-25-23)21(26-28)18-10-14-27(15-11-18)19-6-4-5-7-19/h1-3,8-9,12-13,18-19H,4-7,10-11,14-17H2
InChIKeyCXNNULQMIYCVNK-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.03
Rot. Bonds6

About 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine

3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine (PubChem CID 95855360) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine
PubChem CID95855360
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine
SMILESc1ccc(OCCn2nc(C3CCN(C4CCCC4)CC3)c3nccnc32)cc1
InChIInChI=1S/C23H29N5O/c1-2-8-20(9-3-1)29-17-16-28-23-22(24-12-13-25-23)21(26-28)18-10-14-27(15-11-18)19-6-4-5-7-19/h1-3,8-9,12-13,18-19H,4-7,10-11,14-17H2
InChIKeyCXNNULQMIYCVNK-UHFFFAOYSA-N
XLogP4.03
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[4-[1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazin-3-yl]piperidin-1-yl]butan-1-one
CID 95855367
1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 46974022
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethanamine
CID 92596355
1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288
(2R)-1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 92550953
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95851356
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 95851358
1-[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110242447
1-[(3S)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 92601594
2-(3-methoxyphenyl)-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 95851320
1-[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110242409
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine (CID 95855360) is 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine is c1ccc(OCCn2nc(C3CCN(C4CCCC4)CC3)c3nccnc32)cc1.
What is the InChIKey of 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine?
The InChIKey is CXNNULQMIYCVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-2-8-20(9-3-1)29-17-16-28-23-22(24-12-13-25-23)21(26-28)18-10-14-27(15-11-18)19-6-4-5-7-19/h1-3,8-9,12-13,18-19H,4-7,10-11,14-17H2.
What are the key properties of 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine?
3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 391.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenoxyethyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 95855360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).