2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C20H26N4O3 — CID 133142404

IUPAC2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(COC1CCCC1)N1Cc2ccnn2C(COCc2ccccn2)C1
InChIInChI=1S/C20H26N4O3/c25-20(15-27-19-6-1-2-7-19)23-11-17-8-10-22-24(17)18(12-23)14-26-13-16-5-3-4-9-21-16/h3-5,8-10,18-19H,1-2,6-7,11-15H2
InChIKeyOTPMJFLFCLPCTB-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.34
Rot. Bonds7

About 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 133142404) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID133142404
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(COC1CCCC1)N1Cc2ccnn2C(COCc2ccccn2)C1
InChIInChI=1S/C20H26N4O3/c25-20(15-27-19-6-1-2-7-19)23-11-17-8-10-22-24(17)18(12-23)14-26-13-16-5-3-4-9-21-16/h3-5,8-10,18-19H,1-2,6-7,11-15H2
InChIKeyOTPMJFLFCLPCTB-UHFFFAOYSA-N
XLogP2.34
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-5-cyclobutyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124911912
2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 124785757
N-[[5-(2-cyclopentyloxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131661850
2-methoxy-1-[(7S)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 97463594
(7R)-5-(oxan-4-ylmethyl)-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124911085
2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155828852
2-pyridin-2-yl-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 133142158
N-[[(7S)-5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124783317
2-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 131693706
2-cyclopropyl-1-[6-(pyridin-2-ylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 131641850
N-[2-[5-(2-pyridin-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 133140458
5-(pyridin-2-ylmethyl)-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678215

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 133142404) is 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is O=C(COC1CCCC1)N1Cc2ccnn2C(COCc2ccccn2)C1.
What is the InChIKey of 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is OTPMJFLFCLPCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-20(15-27-19-6-1-2-7-19)23-11-17-8-10-22-24(17)18(12-23)14-26-13-16-5-3-4-9-21-16/h3-5,8-10,18-19H,1-2,6-7,11-15H2.
What are the key properties of 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 370.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 133142404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).