6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine

C22H31N5O — CID 59995648

IUPAC6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine
SMILESCCc1nc(C(C)C)ccc1-c1nc2c(C)nn(C(C)COC)c2nc1CC
InChIInChI=1S/C22H31N5O/c1-8-17-16(10-11-19(23-17)13(3)4)21-18(9-2)24-22-20(25-21)15(6)26-27(22)14(5)12-28-7/h10-11,13-14H,8-9,12H2,1-7H3
InChIKeyJJKBWXRWTUZNRD-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.65
Rot. Bonds7

About 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine

6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine (PubChem CID 59995648) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine
PubChem CID59995648
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine
SMILESCCc1nc(C(C)C)ccc1-c1nc2c(C)nn(C(C)COC)c2nc1CC
InChIInChI=1S/C22H31N5O/c1-8-17-16(10-11-19(23-17)13(3)4)21-18(9-2)24-22-20(25-21)15(6)26-27(22)14(5)12-28-7/h10-11,13-14H,8-9,12H2,1-7H3
InChIKeyJJKBWXRWTUZNRD-UHFFFAOYSA-N
XLogP4.65
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine (CID 59995648) is 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine is CCc1nc(C(C)C)ccc1-c1nc2c(C)nn(C(C)COC)c2nc1CC.
What is the InChIKey of 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine?
The InChIKey is JJKBWXRWTUZNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-8-17-16(10-11-19(23-17)13(3)4)21-18(9-2)24-22-20(25-21)15(6)26-27(22)14(5)12-28-7/h10-11,13-14H,8-9,12H2,1-7H3.
What are the key properties of 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine?
6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine has a molecular weight of 381.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 59995648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).