3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

C18H21N5O3 — CID 56910109

IUPAC3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCOc1ccc2c(CN3CCn4nc(CCC(=O)O)cc4C3)[nH]nc2c1
InChIInChI=1S/C18H21N5O3/c1-26-14-3-4-15-16(9-14)19-20-17(15)11-22-6-7-23-13(10-22)8-12(21-23)2-5-18(24)25/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,19,20)(H,24,25)
InChIKeySGGWUSNDJQHHGE-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.80
Rot. Bonds6

About 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid

3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (PubChem CID 56910109) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
PubChem CID56910109
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
SMILESCOc1ccc2c(CN3CCn4nc(CCC(=O)O)cc4C3)[nH]nc2c1
InChIInChI=1S/C18H21N5O3/c1-26-14-3-4-15-16(9-14)19-20-17(15)11-22-6-7-23-13(10-22)8-12(21-23)2-5-18(24)25/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,19,20)(H,24,25)
InChIKeySGGWUSNDJQHHGE-UHFFFAOYSA-N
XLogP1.80
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56888003
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3-[5-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
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3-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56906050
3-[5-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56916530
[5-[(2-fluoro-5-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90648502
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CID 56915124
3-[5-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 70771199
N-[[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121495415
3-[5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56897581
(3R,4S)-3-hydroxy-1-[(5-methoxy-2H-indazol-3-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 163316039
7-[(5-methoxy-2H-indazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70718335

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid (CID 56910109) is 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is COc1ccc2c(CN3CCn4nc(CCC(=O)O)cc4C3)[nH]nc2c1.
What is the InChIKey of 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
The InChIKey is SGGWUSNDJQHHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-26-14-3-4-15-16(9-14)19-20-17(15)11-22-6-7-23-13(10-22)8-12(21-23)2-5-18(24)25/h3-4,8-9H,2,5-7,10-11H2,1H3,(H,19,20)(H,24,25).
What are the key properties of 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid?
3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid has a molecular weight of 355.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(6-methoxy-2H-indazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 56910109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).