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

C17H26N4O4S — CID 56704015

IUPAC1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)CC1
InChIInChI=1S/C17H26N4O4S/c1-12-4-7-19(8-5-12)26(24,25)20-9-6-15-14(11-20)16(17(22)23)18-21(15)10-13-2-3-13/h12-13H,2-11H2,1H3,(H,22,23)
InChIKeyQZLSERSCTFQXJU-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.33
Rot. Bonds5

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

1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56704015) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56704015
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)CC1
InChIInChI=1S/C17H26N4O4S/c1-12-4-7-19(8-5-12)26(24,25)20-9-6-15-14(11-20)16(17(22)23)18-21(15)10-13-2-3-13/h12-13H,2-11H2,1H3,(H,22,23)
InChIKeyQZLSERSCTFQXJU-UHFFFAOYSA-N
XLogP1.33
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56704015) is 1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC1CCN(S(=O)(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is QZLSERSCTFQXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-12-4-7-19(8-5-12)26(24,25)20-9-6-15-14(11-20)16(17(22)23)18-21(15)10-13-2-3-13/h12-13H,2-11H2,1H3,(H,22,23).
What are the key properties of 1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 382.49 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(4-methylpiperidin-1-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56704015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).