1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride

C16H20ClN5S — CID 118741951

IUPAC1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride
SMILESCl.Cn1nc(C2CCCN(Cc3cccs3)C2)c2nccnc21
InChIInChI=1S/C16H19N5S.ClH/c1-20-16-15(17-6-7-18-16)14(19-20)12-4-2-8-21(10-12)11-13-5-3-9-22-13;/h3,5-7,9,12H,2,4,8,10-11H2,1H3;1H
InChIKeyTXDKXWBKDPWIMC-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.23
Rot. Bonds3

About 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride

1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride (PubChem CID 118741951) has the molecular formula C16H20ClN5S and a molecular weight of 349.89 g/mol. Its IUPAC name is 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride
PubChem CID118741951
Molecular FormulaC16H20ClN5S
Molecular Weight349.89 g/mol
Exact Mass349.11
IUPAC Name1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride
SMILESCl.Cn1nc(C2CCCN(Cc3cccs3)C2)c2nccnc21
InChIInChI=1S/C16H19N5S.ClH/c1-20-16-15(17-6-7-18-16)14(19-20)12-4-2-8-21(10-12)11-13-5-3-9-22-13;/h3,5-7,9,12H,2,4,8,10-11H2,1H3;1H
InChIKeyTXDKXWBKDPWIMC-UHFFFAOYSA-N
XLogP3.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234045
1-methyl-3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 95853481
1-methyl-3-[1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234032
3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 95855386
1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine
CID 125017357
3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 110234058
5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603095
2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92552953
2-cyclohexyl-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110243927
2-pyridin-4-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673491
3-cyclopentyl-1-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92566333
3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566401

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride?
The IUPAC name of 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride (CID 118741951) is 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride.
What is the SMILES notation for 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride?
The canonical SMILES for 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride is Cl.Cn1nc(C2CCCN(Cc3cccs3)C2)c2nccnc21.
What is the InChIKey of 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride?
The InChIKey is TXDKXWBKDPWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S.ClH/c1-20-16-15(17-6-7-18-16)14(19-20)12-4-2-8-21(10-12)11-13-5-3-9-22-13;/h3,5-7,9,12H,2,4,8,10-11H2,1H3;1H.
What are the key properties of 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride?
1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride has a molecular weight of 349.89 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride is sourced from PubChem (CID 118741951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).