N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C23H30N4O2 — CID 46546304

IUPACN-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C23H30N4O2/c1-16(2)21-13-19(20-14-24-27(17(3)4)22(20)25-21)23(28)26(11-12-29-5)15-18-9-7-6-8-10-18/h6-10,13-14,16-17H,11-12,15H2,1-5H3
InChIKeyRQUDWHWQIHWUSL-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.42
Rot. Bonds8

About N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46546304) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46546304
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C23H30N4O2/c1-16(2)21-13-19(20-14-24-27(17(3)4)22(20)25-21)23(28)26(11-12-29-5)15-18-9-7-6-8-10-18/h6-10,13-14,16-17H,11-12,15H2,1-5H3
InChIKeyRQUDWHWQIHWUSL-UHFFFAOYSA-N
XLogP4.42
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 55802850
benzyl 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 8907534
methyl 3-[benzyl-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanoate
CID 55513093
N-butyl-N-ethyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134015253
N-methyl-N-[2-(3-methylphenoxy)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24506300
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24518081
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-[2-(2-methoxyphenyl)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30446403
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38584131
N-[(2-methoxy-3-pyridinyl)methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38534502
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
N-benzyl-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27665854

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 46546304) is N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is COCCN(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RQUDWHWQIHWUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16(2)21-13-19(20-14-24-27(17(3)4)22(20)25-21)23(28)26(11-12-29-5)15-18-9-7-6-8-10-18/h6-10,13-14,16-17H,11-12,15H2,1-5H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46546304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).