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

C19H25N5O2S — CID 110084953

IUPAC5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)C(C(=O)Nc1nccs1)CN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C19H25N5O2S/c1-23-10-14-11-24(16(25)9-13-5-3-2-4-6-13)12-15(17(14)22-23)18(26)21-19-20-7-8-27-19/h7-8,10,13,15H,2-6,9,11-12H2,1H3,(H,20,21,26)
InChIKeyJZHWHEYECGQWQA-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.91
Rot. Bonds4

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

5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 110084953) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID110084953
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc2c(n1)C(C(=O)Nc1nccs1)CN(C(=O)CC1CCCCC1)C2
InChIInChI=1S/C19H25N5O2S/c1-23-10-14-11-24(16(25)9-13-5-3-2-4-6-13)12-15(17(14)22-23)18(26)21-19-20-7-8-27-19/h7-8,10,13,15H,2-6,9,11-12H2,1H3,(H,20,21,26)
InChIKeyJZHWHEYECGQWQA-UHFFFAOYSA-N
XLogP2.91
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide (CID 110084953) is 5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc2c(n1)C(C(=O)Nc1nccs1)CN(C(=O)CC1CCCCC1)C2.
What is the InChIKey of 5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is JZHWHEYECGQWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-23-10-14-11-24(16(25)9-13-5-3-2-4-6-13)12-15(17(14)22-23)18(26)21-19-20-7-8-27-19/h7-8,10,13,15H,2-6,9,11-12H2,1H3,(H,20,21,26).
What are the key properties of 5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide?
5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylacetyl)-2-methyl-N-(1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 110084953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).