(3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone

C24H19N5OS — CID 46243657

IUPAC(3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2sc3nc(-c4cccnc4)cc(-c4ccccc4)c3c2N)n1
InChIInChI=1S/C24H19N5OS/c1-14-11-15(2)29(28-14)24(30)22-21(25)20-18(16-7-4-3-5-8-16)12-19(27-23(20)31-22)17-9-6-10-26-13-17/h3-13H,25H2,1-2H3
InChIKeyAHZBJBJADARKDZ-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.11
Rot. Bonds3

About (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone

(3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 46243657) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID46243657
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name(3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2sc3nc(-c4cccnc4)cc(-c4ccccc4)c3c2N)n1
InChIInChI=1S/C24H19N5OS/c1-14-11-15(2)29(28-14)24(30)22-21(25)20-18(16-7-4-3-5-8-16)12-19(27-23(20)31-22)17-9-6-10-26-13-17/h3-13H,25H2,1-2H3
InChIKeyAHZBJBJADARKDZ-UHFFFAOYSA-N
XLogP5.11
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 46243657) is (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2sc3nc(-c4cccnc4)cc(-c4ccccc4)c3c2N)n1.
What is the InChIKey of (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is AHZBJBJADARKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-14-11-15(2)29(28-14)24(30)22-21(25)20-18(16-7-4-3-5-8-16)12-19(27-23(20)31-22)17-9-6-10-26-13-17/h3-13H,25H2,1-2H3.
What are the key properties of (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
(3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 425.52 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-phenyl-6-pyridin-3-ylthieno[2,3-b]pyridin-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 46243657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).