1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C27H31N5O2S — CID 45163752

IUPAC1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(C(C)CCN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)o1
InChIInChI=1S/C27H31N5O2S/c1-19(24-9-8-20(2)34-24)10-13-31-14-11-23-22(18-31)26(27(33)29-16-25-28-12-15-35-25)30-32(23)17-21-6-4-3-5-7-21/h3-9,12,15,19H,10-11,13-14,16-18H2,1-2H3,(H,29,33)
InChIKeyZOYOREYGMYDMPW-UHFFFAOYSA-N
MW489.65 g/mol
LogP4.77
Rot. Bonds9

About 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45163752) has the molecular formula C27H31N5O2S and a molecular weight of 489.65 g/mol. Its IUPAC name is 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID45163752
Molecular FormulaC27H31N5O2S
Molecular Weight489.65 g/mol
Exact Mass489.22
IUPAC Name1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccc(C(C)CCN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)o1
InChIInChI=1S/C27H31N5O2S/c1-19(24-9-8-20(2)34-24)10-13-31-14-11-23-22(18-31)26(27(33)29-16-25-28-12-15-35-25)30-32(23)17-21-6-4-3-5-7-21/h3-9,12,15,19H,10-11,13-14,16-18H2,1-2H3,(H,29,33)
InChIKeyZOYOREYGMYDMPW-UHFFFAOYSA-N
XLogP4.77
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.65
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45163752) is 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(C(C)CCN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)o1.
What is the InChIKey of 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is ZOYOREYGMYDMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2S/c1-19(24-9-8-20(2)34-24)10-13-31-14-11-23-22(18-31)26(27(33)29-16-25-28-12-15-35-25)30-32(23)17-21-6-4-3-5-7-21/h3-9,12,15,19H,10-11,13-14,16-18H2,1-2H3,(H,29,33).
What are the key properties of 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 489.65 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[3-(5-methylfuran-2-yl)butyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45163752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).