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

C16H13ClF2N4O — CID 27693470

IUPAC2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(F)c(F)cc3Cl)cnc21
InChIInChI=1S/C16H13ClF2N4O/c1-8(2)23-15-9(6-21-23)3-10(7-20-15)22-16(24)11-4-13(18)14(19)5-12(11)17/h3-8H,1-2H3,(H,22,24)
InChIKeyPFTKWQDPJYYGDO-UHFFFAOYSA-N
MW350.76 g/mol
LogP4.20
Rot. Bonds3

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

2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 27693470) has the molecular formula C16H13ClF2N4O and a molecular weight of 350.76 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID27693470
Molecular FormulaC16H13ClF2N4O
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(F)c(F)cc3Cl)cnc21
InChIInChI=1S/C16H13ClF2N4O/c1-8(2)23-15-9(6-21-23)3-10(7-20-15)22-16(24)11-4-13(18)14(19)5-12(11)17/h3-8H,1-2H3,(H,22,24)
InChIKeyPFTKWQDPJYYGDO-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyridine-2-carboxamide
CID 17398797
5-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide
CID 30156254
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956314
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457
2-(4-chlorophenyl)-4-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-5-carboxamide
CID 26956456
4-bromo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1H-pyrrole-2-carboxamide
CID 38714322
5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 24653896
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497
2,2-dichloro-1-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 51256221
(1S)-2,2-dichloro-1-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 97236813
2-[(3,4-dichlorophenyl)sulfonylamino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 42890223

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 27693470) is 2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is CC(C)n1ncc2cc(NC(=O)c3cc(F)c(F)cc3Cl)cnc21.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is PFTKWQDPJYYGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4O/c1-8(2)23-15-9(6-21-23)3-10(7-20-15)22-16(24)11-4-13(18)14(19)5-12(11)17/h3-8H,1-2H3,(H,22,24).
What are the key properties of 2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 350.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 27693470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).