6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H18N4O — CID 43046709

IUPAC6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1
InChIInChI=1S/C20H18N4O/c1-4-13-6-5-7-15(10-13)21-20(25)16-11-17(14-8-9-14)22-19-18(16)12(2)23-24(19)3/h1,5-7,10-11,14H,8-9H2,2-3H3,(H,21,25)
InChIKeyUQBCMVAIOJUWGG-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.39
Rot. Bonds3

About 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43046709) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43046709
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1
InChIInChI=1S/C20H18N4O/c1-4-13-6-5-7-15(10-13)21-20(25)16-11-17(14-8-9-14)22-19-18(16)12(2)23-24(19)3/h1,5-7,10-11,14H,8-9H2,2-3H3,(H,21,25)
InChIKeyUQBCMVAIOJUWGG-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38398974
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-(2,3-dihydro-1H-inden-5-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35337457
N-[2-(3-ethynylanilino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55836923
6-cyclopropyl-1,3-dimethyl-N-(3-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31769500
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
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-1,3-dimethyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555857
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 43046709) is 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is C#Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1.
What is the InChIKey of 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UQBCMVAIOJUWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-4-13-6-5-7-15(10-13)21-20(25)16-11-17(14-8-9-14)22-19-18(16)12(2)23-24(19)3/h1,5-7,10-11,14H,8-9H2,2-3H3,(H,21,25).
What are the key properties of 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43046709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).