1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

C17H20ClN7O — CID 134474007

IUPAC1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(OCc4ccncc4Cl)n[nH]c3n2)CC1
InChIInChI=1S/C17H20ClN7O/c1-17(19)3-6-25(7-4-17)13-9-21-14-15(22-13)23-24-16(14)26-10-11-2-5-20-8-12(11)18/h2,5,8-9H,3-4,6-7,10,19H2,1H3,(H,22,23,24)
InChIKeyQSUOHYOUDLUEKY-UHFFFAOYSA-N
MW373.85 g/mol
LogP2.30
Rot. Bonds4

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

1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 134474007) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 g/mol. Its IUPAC name is 1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
PubChem CID134474007
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC Name1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3c(OCc4ccncc4Cl)n[nH]c3n2)CC1
InChIInChI=1S/C17H20ClN7O/c1-17(19)3-6-25(7-4-17)13-9-21-14-15(22-13)23-24-16(14)26-10-11-2-5-20-8-12(11)18/h2,5,8-9H,3-4,6-7,10,19H2,1H3,(H,22,23,24)
InChIKeyQSUOHYOUDLUEKY-UHFFFAOYSA-N
XLogP2.30
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (CID 134474007) is 1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc3c(OCc4ccncc4Cl)n[nH]c3n2)CC1.
What is the InChIKey of 1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The InChIKey is QSUOHYOUDLUEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O/c1-17(19)3-6-25(7-4-17)13-9-21-14-15(22-13)23-24-16(14)26-10-11-2-5-20-8-12(11)18/h2,5,8-9H,3-4,6-7,10,19H2,1H3,(H,22,23,24).
What are the key properties of 1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 373.85 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-4-pyridinyl)methoxy]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 134474007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).