[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine

C21H30N6 — CID 69441750

IUPAC[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCCc1nc2c(nc1-c1ccc(C(C)C)nc1CN)c(C)nn2C(C)CC
InChIInChI=1S/C21H30N6/c1-7-13(5)27-21-19(14(6)26-27)25-20(16(8-2)24-21)15-9-10-17(12(3)4)23-18(15)11-22/h9-10,12-13H,7-8,11,22H2,1-6H3
InChIKeyCRKZIZPCATVBDC-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.31
Rot. Bonds6

About [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine

[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine (PubChem CID 69441750) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine
PubChem CID69441750
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine
SMILESCCc1nc2c(nc1-c1ccc(C(C)C)nc1CN)c(C)nn2C(C)CC
InChIInChI=1S/C21H30N6/c1-7-13(5)27-21-19(14(6)26-27)25-20(16(8-2)24-21)15-9-10-17(12(3)4)23-18(15)11-22/h9-10,12-13H,7-8,11,22H2,1-6H3
InChIKeyCRKZIZPCATVBDC-UHFFFAOYSA-N
XLogP4.31
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-yl]methanamine
CID 69441917
6-ethyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-(1-pyrrolidin-1-ylpropan-2-yl)pyrazolo[3,4-b]pyrazine
CID 59995631
3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
CID 143580126
ethane;6-ethyl-1-(1-methoxy-3-methylsulfanyloxypropan-2-yl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrazolo[3,4-b]pyrazine
CID 143020041
[3-(3-butan-2-yl-1,5-dimethylpyrrolo[2,3-b]pyridin-6-yl)-6-propan-2-yl-2-pyridinyl]methanamine
CID 69452495
[3-[1-[(2S)-1-ethoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69435818
[3-[1-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69461238
[3-[1-(2-fluoroethyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69448665
(2S)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butanoic acid
CID 71157631
3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine
CID 69443702
[3-[3,6-dimethyl-1-[(2R)-1-morpholin-4-ylbutan-2-yl]pyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69447178
(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
CID 24788873

Frequently Asked Questions

What is the IUPAC name of [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine?
The IUPAC name of [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine (CID 69441750) is [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine?
The canonical SMILES for [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine is CCc1nc2c(nc1-c1ccc(C(C)C)nc1CN)c(C)nn2C(C)CC.
What is the InChIKey of [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine?
The InChIKey is CRKZIZPCATVBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-7-13(5)27-21-19(14(6)26-27)25-20(16(8-2)24-21)15-9-10-17(12(3)4)23-18(15)11-22/h9-10,12-13H,7-8,11,22H2,1-6H3.
What are the key properties of [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine?
[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine has a molecular weight of 366.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine is sourced from PubChem (CID 69441750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).