N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C16H15Cl2N5O — CID 35533377

IUPACN-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)Nc3ncc(Cl)cc3Cl)cc(C)nc21
InChIInChI=1S/C16H15Cl2N5O/c1-4-23-15-13(9(3)22-23)11(5-8(2)20-15)16(24)21-14-12(18)6-10(17)7-19-14/h5-7H,4H2,1-3H3,(H,19,21,24)
InChIKeyLEUQRKDRULGFFJ-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.02
Rot. Bonds3

About N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 35533377) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID35533377
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)Nc3ncc(Cl)cc3Cl)cc(C)nc21
InChIInChI=1S/C16H15Cl2N5O/c1-4-23-15-13(9(3)22-23)11(5-8(2)20-15)16(24)21-14-12(18)6-10(17)7-19-14/h5-7H,4H2,1-3H3,(H,19,21,24)
InChIKeyLEUQRKDRULGFFJ-UHFFFAOYSA-N
XLogP4.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichloro-2-pyridinyl)-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503741
6-cyclopropyl-N-(3,5-dichloro-2-pyridinyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35337408
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35522172
1-ethyl-3,6-dimethyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35532740
N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822092
1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822932
1-ethyl-3,6-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533776
1-butyl-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590099
1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822576
1-benzyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822451
N-(5-chloro-2-pyridinyl)-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503742
1-butyl-N-(2,6-dibromo-4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19589113

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 35533377) is N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCn1nc(C)c2c(C(=O)Nc3ncc(Cl)cc3Cl)cc(C)nc21.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is LEUQRKDRULGFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c1-4-23-15-13(9(3)22-23)11(5-8(2)20-15)16(24)21-14-12(18)6-10(17)7-19-14/h5-7H,4H2,1-3H3,(H,19,21,24).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35533377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).