1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one

C21H22N6OS — CID 155484604

IUPAC1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one
SMILESCC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cc4cnccc4s3)c2n1
InChIInChI=1S/C21H22N6OS/c1-12(2)20-21(28)26(3)8-9-27(20)17-5-4-14-18(23-17)19(25-24-14)16-10-13-11-22-7-6-15(13)29-16/h4-7,10-12,20H,8-9H2,1-3H3,(H,24,25)
InChIKeyGFJNDOUQAJRIKK-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.54
Rot. Bonds3

About 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one

1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one (PubChem CID 155484604) has the molecular formula C21H22N6OS and a molecular weight of 406.52 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one
PubChem CID155484604
Molecular FormulaC21H22N6OS
Molecular Weight406.52 g/mol
Exact Mass406.16
IUPAC Name1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one
SMILESCC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cc4cnccc4s3)c2n1
InChIInChI=1S/C21H22N6OS/c1-12(2)20-21(28)26(3)8-9-27(20)17-5-4-14-18(23-17)19(25-24-14)16-10-13-11-22-7-6-15(13)29-16/h4-7,10-12,20H,8-9H2,1-3H3,(H,24,25)
InChIKeyGFJNDOUQAJRIKK-UHFFFAOYSA-N
XLogP3.54
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one?
The IUPAC name of 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one (CID 155484604) is 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one?
The canonical SMILES for 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one is CC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cc4cnccc4s3)c2n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one?
The InChIKey is GFJNDOUQAJRIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS/c1-12(2)20-21(28)26(3)8-9-27(20)17-5-4-14-18(23-17)19(25-24-14)16-10-13-11-22-7-6-15(13)29-16/h4-7,10-12,20H,8-9H2,1-3H3,(H,24,25).
What are the key properties of 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one?
1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one has a molecular weight of 406.52 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-4-(3-thieno[3,2-c]pyridin-2-yl-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one is sourced from PubChem (CID 155484604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).