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

C16H19N5S — CID 110234045

IUPAC1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
SMILESCn1nc(C2CCCN(Cc3ccsc3)C2)c2nccnc21
InChIInChI=1S/C16H19N5S/c1-20-16-15(17-5-6-18-16)14(19-20)13-3-2-7-21(10-13)9-12-4-8-22-11-12/h4-6,8,11,13H,2-3,7,9-10H2,1H3
InChIKeyDCDVTJNMPHGBLP-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.80
Rot. Bonds3

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

1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine (PubChem CID 110234045) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
PubChem CID110234045
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
SMILESCn1nc(C2CCCN(Cc3ccsc3)C2)c2nccnc21
InChIInChI=1S/C16H19N5S/c1-20-16-15(17-5-6-18-16)14(19-20)13-3-2-7-21(10-13)9-12-4-8-22-11-12/h4-6,8,11,13H,2-3,7,9-10H2,1H3
InChIKeyDCDVTJNMPHGBLP-UHFFFAOYSA-N
XLogP2.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride
CID 118741951
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-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 110234058
3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 95855386
3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 86791653
2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92552953
4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine
CID 126465783
2-cyclohexyl-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110243927
5-methyl-2-(pyridin-2-ylmethylsulfanyl)-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 45167404
3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566391
1-(thiophen-3-ylmethyl)azetidine
CID 131087701

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine (CID 110234045) is 1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine is Cn1nc(C2CCCN(Cc3ccsc3)C2)c2nccnc21.
What is the InChIKey of 1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
The InChIKey is DCDVTJNMPHGBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-20-16-15(17-5-6-18-16)14(19-20)13-3-2-7-21(10-13)9-12-4-8-22-11-12/h4-6,8,11,13H,2-3,7,9-10H2,1H3.
What are the key properties of 1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine?
1-methyl-3-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine has a molecular weight of 313.43 g/mol, XLogP of 2.80, 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-3-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 110234045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).