1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine

C17H20N4S — CID 125017357

IUPAC1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine
SMILESCn1ncc2ccc([C@H]3CCCN(Cc4cccs4)C3)nc21
InChIInChI=1S/C17H20N4S/c1-20-17-13(10-18-20)6-7-16(19-17)14-4-2-8-21(11-14)12-15-5-3-9-22-15/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3/t14-/m0/s1
InChIKeyXGVSOIWORJMOHZ-AWEZNQCLSA-N
MW312.44 g/mol
LogP3.41
Rot. Bonds3

About 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine

1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine (PubChem CID 125017357) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine
PubChem CID125017357
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine
SMILESCn1ncc2ccc([C@H]3CCCN(Cc4cccs4)C3)nc21
InChIInChI=1S/C17H20N4S/c1-20-17-13(10-18-20)6-7-16(19-17)14-4-2-8-21(11-14)12-15-5-3-9-22-15/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3/t14-/m0/s1
InChIKeyXGVSOIWORJMOHZ-AWEZNQCLSA-N
XLogP3.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine (CID 125017357) is 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine is Cn1ncc2ccc([C@H]3CCCN(Cc4cccs4)C3)nc21.
What is the InChIKey of 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is XGVSOIWORJMOHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4S/c1-20-17-13(10-18-20)6-7-16(19-17)14-4-2-8-21(11-14)12-15-5-3-9-22-15/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine?
1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 312.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 125017357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).