4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine

C16H25N7S — CID 135388644

IUPAC4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(SC4CCCNC4)n[nH]c3n2)CC1
InChIInChI=1S/C16H25N7S/c1-16(17)4-7-23(8-5-16)12-10-19-13-14(20-12)21-22-15(13)24-11-3-2-6-18-9-11/h10-11,18H,2-9,17H2,1H3,(H,20,21,22)
InChIKeyAOOMRKDMCOZHKL-UHFFFAOYSA-N
MW347.49 g/mol
LogP1.51
Rot. Bonds3

About 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine

4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine (PubChem CID 135388644) has the molecular formula C16H25N7S and a molecular weight of 347.49 g/mol. Its IUPAC name is 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine
PubChem CID135388644
Molecular FormulaC16H25N7S
Molecular Weight347.49 g/mol
Exact Mass347.19
IUPAC Name4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(SC4CCCNC4)n[nH]c3n2)CC1
InChIInChI=1S/C16H25N7S/c1-16(17)4-7-23(8-5-16)12-10-19-13-14(20-12)21-22-15(13)24-11-3-2-6-18-9-11/h10-11,18H,2-9,17H2,1H3,(H,20,21,22)
InChIKeyAOOMRKDMCOZHKL-UHFFFAOYSA-N
XLogP1.51
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine?
The IUPAC name of 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine (CID 135388644) is 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine?
The canonical SMILES for 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine is CC1(N)CCN(c2cnc3c(SC4CCCNC4)n[nH]c3n2)CC1.
What is the InChIKey of 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine?
The InChIKey is AOOMRKDMCOZHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7S/c1-16(17)4-7-23(8-5-16)12-10-19-13-14(20-12)21-22-15(13)24-11-3-2-6-18-9-11/h10-11,18H,2-9,17H2,1H3,(H,20,21,22).
What are the key properties of 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine?
4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine has a molecular weight of 347.49 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-piperidin-3-ylsulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)piperidin-4-amine is sourced from PubChem (CID 135388644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).