1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

C17H20ClN7O — CID 134473830

IUPAC1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCc1cc(Oc2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)c(Cl)cn1
InChIInChI=1S/C17H20ClN7O/c1-10-7-12(11(18)8-20-10)26-16-14-15(23-24-16)22-13(9-21-14)25-5-3-17(2,19)4-6-25/h7-9H,3-6,19H2,1-2H3,(H,22,23,24)
InChIKeyMUBQNBSWKUXPQL-UHFFFAOYSA-N
MW373.85 g/mol
LogP2.82
Rot. Bonds3

About 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 134473830) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 g/mol. Its IUPAC name is 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
PubChem CID134473830
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC Name1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCc1cc(Oc2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)c(Cl)cn1
InChIInChI=1S/C17H20ClN7O/c1-10-7-12(11(18)8-20-10)26-16-14-15(23-24-16)22-13(9-21-14)25-5-3-17(2,19)4-6-25/h7-9H,3-6,19H2,1-2H3,(H,22,23,24)
InChIKeyMUBQNBSWKUXPQL-UHFFFAOYSA-N
XLogP2.82
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (CID 134473830) is 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is Cc1cc(Oc2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)c(Cl)cn1.
What is the InChIKey of 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The InChIKey is MUBQNBSWKUXPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O/c1-10-7-12(11(18)8-20-10)26-16-14-15(23-24-16)22-13(9-21-14)25-5-3-17(2,19)4-6-25/h7-9H,3-6,19H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 373.85 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-chloro-2-methyl-4-pyridinyl)oxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 134473830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).