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

C19H23N3O3S — CID 56711379

IUPAC1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCc1c(C(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)csc1C
InChIInChI=1S/C19H23N3O3S/c1-3-13-11(2)26-10-15(13)18(23)21-7-6-16-14(9-21)17(19(24)25)20-22(16)8-12-4-5-12/h10,12H,3-9H2,1-2H3,(H,24,25)
InChIKeyDTDOCVDCESZDSS-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.12
Rot. Bonds5

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

1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56711379) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56711379
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCCc1c(C(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)csc1C
InChIInChI=1S/C19H23N3O3S/c1-3-13-11(2)26-10-15(13)18(23)21-7-6-16-14(9-21)17(19(24)25)20-22(16)8-12-4-5-12/h10,12H,3-9H2,1-2H3,(H,24,25)
InChIKeyDTDOCVDCESZDSS-UHFFFAOYSA-N
XLogP3.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.12
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-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56711379) is 1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CCc1c(C(=O)N2CCc3c(c(C(=O)O)nn3CC3CC3)C2)csc1C.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is DTDOCVDCESZDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-13-11(2)26-10-15(13)18(23)21-7-6-16-14(9-21)17(19(24)25)20-22(16)8-12-4-5-12/h10,12H,3-9H2,1-2H3,(H,24,25).
What are the key properties of 1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(cyclopropylmethyl)-5-(4-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 373.48 g/mol, XLogP of 3.12, 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-ethyl-5-methylthiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56711379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).