1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C18H25N3O4 — CID 56721182

IUPAC1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOCC1(C(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)CCC1
InChIInChI=1S/C18H25N3O4/c1-25-11-18(6-2-7-18)17(24)20-8-5-14-13(10-20)15(16(22)23)19-21(14)9-12-3-4-12/h12H,2-11H2,1H3,(H,22,23)
InChIKeyBGWXZZSUMDSYPI-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.69
Rot. Bonds6

About 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56721182) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56721182
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOCC1(C(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)CCC1
InChIInChI=1S/C18H25N3O4/c1-25-11-18(6-2-7-18)17(24)20-8-5-14-13(10-20)15(16(22)23)19-21(14)9-12-3-4-12/h12H,2-11H2,1H3,(H,22,23)
InChIKeyBGWXZZSUMDSYPI-UHFFFAOYSA-N
XLogP1.69
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56721182) is 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is COCC1(C(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)CCC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is BGWXZZSUMDSYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-25-11-18(6-2-7-18)17(24)20-8-5-14-13(10-20)15(16(22)23)19-21(14)9-12-3-4-12/h12H,2-11H2,1H3,(H,22,23).
What are the key properties of 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-[1-(methoxymethyl)cyclobutanecarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56721182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).