N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide

C19H17N5O — CID 665225

IUPACN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
SMILESCCCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H17N5O/c1-2-11-24-18-15(12-14-5-3-4-6-16(14)21-18)17(23-24)22-19(25)13-7-9-20-10-8-13/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyLDLPARUICKOWRD-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.64
Rot. Bonds4

About N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide

N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide (PubChem CID 665225) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
PubChem CID665225
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
SMILESCCCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21
InChIInChI=1S/C19H17N5O/c1-2-11-24-18-15(12-14-5-3-4-6-16(14)21-18)17(23-24)22-19(25)13-7-9-20-10-8-13/h3-10,12H,2,11H2,1H3,(H,22,23,25)
InChIKeyLDLPARUICKOWRD-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
Zipalertinib
CID 117918742
Jqez5
CID 121322599
6-cyclopropyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329353
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
5-PyriMidinecarboxaMide, N-(5-fluoro-3-Methyl-1H-indol-1-yl)-4-Methyl-2-(2-pyridinyl)-
CID 25099474
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]benzamide
CID 24896610
2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CID 53245636
N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056341

Frequently Asked Questions

What is the IUPAC name of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide (CID 665225) is N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide is CCCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21.
What is the InChIKey of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide?
The InChIKey is LDLPARUICKOWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-11-24-18-15(12-14-5-3-4-6-16(14)21-18)17(23-24)22-19(25)13-7-9-20-10-8-13/h3-10,12H,2,11H2,1H3,(H,22,23,25).
What are the key properties of N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide?
N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 665225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).