6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H23N5O3 — CID 38398974

IUPAC6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1
InChIInChI=1S/C21H23N5O3/c1-12-19-16(10-17(13-7-8-13)24-20(19)26(2)25-12)21(28)23-15-6-4-5-14(9-15)22-18(27)11-29-3/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyJUIBTPYWBINOEJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.99
Rot. Bonds6

About 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 38398974) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID38398974
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1
InChIInChI=1S/C21H23N5O3/c1-12-19-16(10-17(13-7-8-13)24-20(19)26(2)25-12)21(28)23-15-6-4-5-14(9-15)22-18(27)11-29-3/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyJUIBTPYWBINOEJ-UHFFFAOYSA-N
XLogP2.99
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36524540
6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43046709
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35337457
6-cyclopropyl-1,3-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31758245
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
6-cyclopropyl-1,3-dimethyl-N-(3-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31769500
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
6-cyclopropyl-1,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55612527
6-cyclopropyl-1,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31266028
6-cyclopropyl-1,3-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 39855230
6-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823436

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 38398974) is 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COCC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1.
What is the InChIKey of 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JUIBTPYWBINOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-12-19-16(10-17(13-7-8-13)24-20(19)26(2)25-12)21(28)23-15-6-4-5-14(9-15)22-18(27)11-29-3/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38398974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).