6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide

C18H16N4O2 — CID 134802899

IUPAC6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC#CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C
InChIInChI=1S/C18H16N4O2/c1-4-9-19-18(23)14-10-16(12-5-7-13(24-3)8-6-12)21-17-15(14)11-20-22(17)2/h1,5-8,10-11H,9H2,2-3H3,(H,19,23)
InChIKeyTUKKKTGMFCZLRH-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.01
Rot. Bonds4

About 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802899) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802899
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESC#CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C
InChIInChI=1S/C18H16N4O2/c1-4-9-19-18(23)14-10-16(12-5-7-13(24-3)8-6-12)21-17-15(14)11-20-22(17)2/h1,5-8,10-11H,9H2,2-3H3,(H,19,23)
InChIKeyTUKKKTGMFCZLRH-UHFFFAOYSA-N
XLogP2.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxyphenyl)-1-methyl-N-pentylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800939
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800795
6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27741134
N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803462
6-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800911
6-(4-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801357
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852951
N-[(4-methoxyphenyl)methyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802696
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 44821575
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 44823378
6-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803194
N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797275

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802899) is 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide is C#CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C.
What is the InChIKey of 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is TUKKKTGMFCZLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-4-9-19-18(23)14-10-16(12-5-7-13(24-3)8-6-12)21-17-15(14)11-20-22(17)2/h1,5-8,10-11H,9H2,2-3H3,(H,19,23).
What are the key properties of 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).