N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H23ClN4O2 — CID 46684152

IUPACN-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O2/c1-13(2)25-19-15(12-22-25)11-18(14(3)23-19)20(26)24(4)9-10-27-17-7-5-16(21)6-8-17/h5-8,11-13H,9-10H2,1-4H3
InChIKeyAGNFMIOOPGGYMI-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46684152) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46684152
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O2/c1-13(2)25-19-15(12-22-25)11-18(14(3)23-19)20(26)24(4)9-10-27-17-7-5-16(21)6-8-17/h5-8,11-13H,9-10H2,1-4H3
InChIKeyAGNFMIOOPGGYMI-UHFFFAOYSA-N
XLogP4.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36702758
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17497230
N-[(3-fluorophenyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17458660
methyl 2-methyl-5-[[methyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]furan-3-carboxylate
CID 34485072
N-[(2-hydroxycyclopentyl)methyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 109399967
N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
CID 18126231
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78770446
N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78833357
N-methyl-N-[2-(3-methylphenoxy)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24506300
N-[1-(2,4-dichlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17495919
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
N-[(2-chlorophenyl)methyl]-N-ethyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55587213

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46684152) is N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is AGNFMIOOPGGYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-13(2)25-19-15(12-22-25)11-18(14(3)23-19)20(26)24(4)9-10-27-17-7-5-16(21)6-8-17/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46684152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).