N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide

C19H18N4OS — CID 2005844

IUPACN-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide
SMILESCC(C)Cn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21
InChIInChI=1S/C19H18N4OS/c1-12(2)11-23-18-14(10-13-6-3-4-7-15(13)20-18)17(22-23)21-19(24)16-8-5-9-25-16/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyIVINKRHVIGQEIE-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.55
Rot. Bonds4

About N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide

N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide (PubChem CID 2005844) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide
PubChem CID2005844
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide
SMILESCC(C)Cn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21
InChIInChI=1S/C19H18N4OS/c1-12(2)11-23-18-14(10-13-6-3-4-7-15(13)20-18)17(22-23)21-19(24)16-8-5-9-25-16/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyIVINKRHVIGQEIE-UHFFFAOYSA-N
XLogP4.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide (CID 2005844) is N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide is CC(C)Cn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21.
What is the InChIKey of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide?
The InChIKey is IVINKRHVIGQEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12(2)11-23-18-14(10-13-6-3-4-7-15(13)20-18)17(22-23)21-19(24)16-8-5-9-25-16/h3-10,12H,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide?
N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2005844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).