6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C22H18N6OS — CID 55554693

IUPAC6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C22H18N6OS/c1-15-12-18(19-13-23-28(21(19)24-15)14-17-8-5-11-30-17)22(29)25-20-9-10-27(26-20)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,25,26,29)
InChIKeyVDOXQIRSZRKUPS-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.29
Rot. Bonds5

About 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55554693) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55554693
Molecular FormulaC22H18N6OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC Name6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C22H18N6OS/c1-15-12-18(19-13-23-28(21(19)24-15)14-17-8-5-11-30-17)22(29)25-20-9-10-27(26-20)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,25,26,29)
InChIKeyVDOXQIRSZRKUPS-UHFFFAOYSA-N
XLogP4.29
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55554693) is 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is VDOXQIRSZRKUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c1-15-12-18(19-13-23-28(21(19)24-15)14-17-8-5-11-30-17)22(29)25-20-9-10-27(26-20)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,25,26,29).
What are the key properties of 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55554693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).