2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid

C17H20N4O3 — CID 131684879

IUPAC2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(N2Cc3[nH]nc(COc4cccnc4)c3C2)CCC1
InChIInChI=1S/C17H20N4O3/c22-16(23)7-17(4-2-5-17)21-9-13-14(10-21)19-20-15(13)11-24-12-3-1-6-18-8-12/h1,3,6,8H,2,4-5,7,9-11H2,(H,19,20)(H,22,23)
InChIKeyCZAPLSHLRPGIEN-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.10
Rot. Bonds6

About 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid

2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid (PubChem CID 131684879) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid
PubChem CID131684879
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(N2Cc3[nH]nc(COc4cccnc4)c3C2)CCC1
InChIInChI=1S/C17H20N4O3/c22-16(23)7-17(4-2-5-17)21-9-13-14(10-21)19-20-15(13)11-24-12-3-1-6-18-8-12/h1,3,6,8H,2,4-5,7,9-11H2,(H,19,20)(H,22,23)
InChIKeyCZAPLSHLRPGIEN-UHFFFAOYSA-N
XLogP2.10
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid 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

5-[(1-methylimidazol-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 97410203
5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585612
5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid
CID 117215982
2-(pyridin-3-yloxymethyl)pyridine-3,5-dicarboxylic acid;hydrochloride
CID 70438795
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46982336
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46987105
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 46999531
2-hydroxy-1-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 97405941
pyrazolidin-3-yl-[1-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 134072047
(5-methylpyrazin-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97405922
2-(1-hydroxycyclopentyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538743
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid (CID 131684879) is 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid is O=C(O)CC1(N2Cc3[nH]nc(COc4cccnc4)c3C2)CCC1.
What is the InChIKey of 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid?
The InChIKey is CZAPLSHLRPGIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(23)7-17(4-2-5-17)21-9-13-14(10-21)19-20-15(13)11-24-12-3-1-6-18-8-12/h1,3,6,8H,2,4-5,7,9-11H2,(H,19,20)(H,22,23).
What are the key properties of 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid?
2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid has a molecular weight of 328.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(pyridin-3-yloxymethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]cyclobutyl]acetic acid is sourced from PubChem (CID 131684879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).