(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone

C19H22N4OS — CID 44822989

IUPAC(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCCCC3C)c12
InChIInChI=1S/C19H22N4OS/c1-12-7-4-5-9-23(12)19(24)14-11-15(16-8-6-10-25-16)20-18-17(14)13(2)21-22(18)3/h6,8,10-12H,4-5,7,9H2,1-3H3
InChIKeyFIAZNELWSXABFJ-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.02
Rot. Bonds2

About (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone

(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 44822989) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID44822989
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCCCC3C)c12
InChIInChI=1S/C19H22N4OS/c1-12-7-4-5-9-23(12)19(24)14-11-15(16-8-6-10-25-16)20-18-17(14)13(2)21-22(18)3/h6,8,10-12H,4-5,7,9H2,1-3H3
InChIKeyFIAZNELWSXABFJ-UHFFFAOYSA-N
XLogP4.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone (CID 44822989) is (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCCCC3C)c12.
What is the InChIKey of (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is FIAZNELWSXABFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-7-4-5-9-23(12)19(24)14-11-15(16-8-6-10-25-16)20-18-17(14)13(2)21-22(18)3/h6,8,10-12H,4-5,7,9H2,1-3H3.
What are the key properties of (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone?
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 354.48 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 44822989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).