1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide

C19H21N5O2S — CID 32679602

IUPAC1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(N)=O)CC2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C19H21N5O2S/c1-12-9-15(19(26)23-6-4-13(5-7-23)17(20)25)16-10-21-24(18(16)22-12)11-14-3-2-8-27-14/h2-3,8-10,13H,4-7,11H2,1H3,(H2,20,25)
InChIKeyVGQBDSRVCPVOMX-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.19
Rot. Bonds4

About 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide

1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 32679602) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
PubChem CID32679602
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(N)=O)CC2)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C19H21N5O2S/c1-12-9-15(19(26)23-6-4-13(5-7-23)17(20)25)16-10-21-24(18(16)22-12)11-14-3-2-8-27-14/h2-3,8-10,13H,4-7,11H2,1H3,(H2,20,25)
InChIKeyVGQBDSRVCPVOMX-UHFFFAOYSA-N
XLogP2.19
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide (CID 32679602) is 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide is Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is VGQBDSRVCPVOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-9-15(19(26)23-6-4-13(5-7-23)17(20)25)16-10-21-24(18(16)22-12)11-14-3-2-8-27-14/h2-3,8-10,13H,4-7,11H2,1H3,(H2,20,25).
What are the key properties of 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide?
1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 32679602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).