4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide

C15H14ClN5O — CID 17398797

IUPAC4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(Cl)ccn3)cnc21
InChIInChI=1S/C15H14ClN5O/c1-9(2)21-14-10(7-19-21)5-12(8-18-14)20-15(22)13-6-11(16)3-4-17-13/h3-9H,1-2H3,(H,20,22)
InChIKeyGYFYVMQRAWHQPX-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide

4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide (PubChem CID 17398797) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide
PubChem CID17398797
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(Cl)ccn3)cnc21
InChIInChI=1S/C15H14ClN5O/c1-9(2)21-14-10(7-19-21)5-12(8-18-14)20-15(22)13-6-11(16)3-4-17-13/h3-9H,1-2H3,(H,20,22)
InChIKeyGYFYVMQRAWHQPX-UHFFFAOYSA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide
CID 30156254
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CID 27693470
5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 24653896
2-(4-chlorophenyl)-4-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-5-carboxamide
CID 26956456
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide
CID 38714322
2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956314
2-(2-bromo-4-chlorophenoxy)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 24665765
2-(cyclopentylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide
CID 167863519
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693617
(3S)-6-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 27698154
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide (CID 17398797) is 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide is CC(C)n1ncc2cc(NC(=O)c3cc(Cl)ccn3)cnc21.
What is the InChIKey of 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide?
The InChIKey is GYFYVMQRAWHQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-9(2)21-14-10(7-19-21)5-12(8-18-14)20-15(22)13-6-11(16)3-4-17-13/h3-9H,1-2H3,(H,20,22).
What are the key properties of 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide?
4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 17398797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).