5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C26H26N6O2S — CID 26134787

IUPAC5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1nc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)cs1
InChIInChI=1S/C26H26N6O2S/c1-18-29-22(17-35-18)26(34)31-13-11-23-21(16-31)24(25(33)28-15-20-9-5-6-12-27-20)30-32(23)14-10-19-7-3-2-4-8-19/h2-9,12,17H,10-11,13-16H2,1H3,(H,28,33)
InChIKeyVPDDZQYPTCKGFF-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.41
Rot. Bonds7

About 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26134787) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26134787
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1nc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)cs1
InChIInChI=1S/C26H26N6O2S/c1-18-29-22(17-35-18)26(34)31-13-11-23-21(16-31)24(25(33)28-15-20-9-5-6-12-27-20)30-32(23)14-10-19-7-3-2-4-8-19/h2-9,12,17H,10-11,13-16H2,1H3,(H,28,33)
InChIKeyVPDDZQYPTCKGFF-UHFFFAOYSA-N
XLogP3.41
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-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 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26134787) is 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1nc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CCc3ccccc3)C2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VPDDZQYPTCKGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-18-29-22(17-35-18)26(34)31-13-11-23-21(16-31)24(25(33)28-15-20-9-5-6-12-27-20)30-32(23)14-10-19-7-3-2-4-8-19/h2-9,12,17H,10-11,13-16H2,1H3,(H,28,33).
What are the key properties of 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazole-4-carbonyl)-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26134787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).