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

C28H28N6OS — CID 26232685

IUPAC1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1cc(CN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C28H28N6OS/c1-32-17-21(22-9-5-6-10-24(22)32)18-33-13-11-25-23(19-33)27(28(35)30-15-26-29-12-14-36-26)31-34(25)16-20-7-3-2-4-8-20/h2-10,12,14,17H,11,13,15-16,18-19H2,1H3,(H,30,35)
InChIKeyNVCDNNJEHLUBSL-UHFFFAOYSA-N
MW496.64 g/mol
LogP4.37
Rot. Bonds7

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

1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26232685) has the molecular formula C28H28N6OS and a molecular weight of 496.64 g/mol. Its IUPAC name is 1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26232685
Molecular FormulaC28H28N6OS
Molecular Weight496.64 g/mol
Exact Mass496.20
IUPAC Name1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1cc(CN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C28H28N6OS/c1-32-17-21(22-9-5-6-10-24(22)32)18-33-13-11-25-23(19-33)27(28(35)30-15-26-29-12-14-36-26)31-34(25)16-20-7-3-2-4-8-20/h2-10,12,14,17H,11,13,15-16,18-19H2,1H3,(H,30,35)
InChIKeyNVCDNNJEHLUBSL-UHFFFAOYSA-N
XLogP4.37
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-5-[(1-methylindol-3-yl)methyl]-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-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26232685) is 1-benzyl-5-[(1-methylindol-3-yl)methyl]-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-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1cc(CN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)c2ccccc21.
What is the InChIKey of 1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NVCDNNJEHLUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6OS/c1-32-17-21(22-9-5-6-10-24(22)32)18-33-13-11-25-23(19-33)27(28(35)30-15-26-29-12-14-36-26)31-34(25)16-20-7-3-2-4-8-20/h2-10,12,14,17H,11,13,15-16,18-19H2,1H3,(H,30,35).
What are the key properties of 1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 496.64 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(1-methylindol-3-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26232685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).