[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine

C21H30N6O — CID 69441917

IUPAC[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine
SMILESCCC(CC)n1nc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(CN)nc21
InChIInChI=1S/C21H30N6O/c1-7-14(8-2)27-20-18(13(5)26-27)25-19(17(11-22)23-20)15-9-10-16(12(3)4)24-21(15)28-6/h9-10,12,14H,7-8,11,22H2,1-6H3
InChIKeyYUVUKVFBEAIQRG-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.15
Rot. Bonds7

About [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine

[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine (PubChem CID 69441917) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine
PubChem CID69441917
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine
SMILESCCC(CC)n1nc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(CN)nc21
InChIInChI=1S/C21H30N6O/c1-7-14(8-2)27-20-18(13(5)26-27)25-19(17(11-22)23-20)15-9-10-16(12(3)4)24-21(15)28-6/h9-10,12,14H,7-8,11,22H2,1-6H3
InChIKeyYUVUKVFBEAIQRG-UHFFFAOYSA-N
XLogP4.15
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine?
The IUPAC name of [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine (CID 69441917) is [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine.
What is the SMILES notation for [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine?
The canonical SMILES for [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine is CCC(CC)n1nc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(CN)nc21.
What is the InChIKey of [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine?
The InChIKey is YUVUKVFBEAIQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-7-14(8-2)27-20-18(13(5)26-27)25-19(17(11-22)23-20)15-9-10-16(12(3)4)24-21(15)28-6/h9-10,12,14H,7-8,11,22H2,1-6H3.
What are the key properties of [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine?
[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine has a molecular weight of 382.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine is sourced from PubChem (CID 69441917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).