4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C14H17N3OS — CID 135632904

IUPAC4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccsc1C1CC(=O)Nc2c1cnn2C(C)C
InChIInChI=1S/C14H17N3OS/c1-8(2)17-14-11(7-15-17)10(6-12(18)16-14)13-9(3)4-5-19-13/h4-5,7-8,10H,6H2,1-3H3,(H,16,18)
InChIKeyHKIGSWUFLAMKDL-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.31
Rot. Bonds2

About 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135632904) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135632904
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccsc1C1CC(=O)Nc2c1cnn2C(C)C
InChIInChI=1S/C14H17N3OS/c1-8(2)17-14-11(7-15-17)10(6-12(18)16-14)13-9(3)4-5-19-13/h4-5,7-8,10H,6H2,1-3H3,(H,16,18)
InChIKeyHKIGSWUFLAMKDL-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135632904) is 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccsc1C1CC(=O)Nc2c1cnn2C(C)C.
What is the InChIKey of 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is HKIGSWUFLAMKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8(2)17-14-11(7-15-17)10(6-12(18)16-14)13-9(3)4-5-19-13/h4-5,7-8,10H,6H2,1-3H3,(H,16,18).
What are the key properties of 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 275.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophen-2-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135632904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).