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

C24H34N6O — CID 59995631

IUPAC6-ethyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-(1-pyrrolidin-1-ylpropan-2-yl)pyrazolo[3,4-b]pyrazine
SMILESCCc1nc2c(nc1-c1ccc(C(C)C)nc1OC)c(C)nn2C(C)CN1CCCC1
InChIInChI=1S/C24H34N6O/c1-7-19-22(18-10-11-20(15(2)3)26-24(18)31-6)27-21-17(5)28-30(23(21)25-19)16(4)14-29-12-8-9-13-29/h10-11,15-16H,7-9,12-14H2,1-6H3
InChIKeyKPQLNBAMNKFYBM-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.55
Rot. Bonds7

About 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

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 (PubChem CID 59995631) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-ethyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-(1-pyrrolidin-1-ylpropan-2-yl)pyrazolo[3,4-b]pyrazine
PubChem CID59995631
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name6-ethyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1-(1-pyrrolidin-1-ylpropan-2-yl)pyrazolo[3,4-b]pyrazine
SMILESCCc1nc2c(nc1-c1ccc(C(C)C)nc1OC)c(C)nn2C(C)CN1CCCC1
InChIInChI=1S/C24H34N6O/c1-7-19-22(18-10-11-20(15(2)3)26-24(18)31-6)27-21-17(5)28-30(23(21)25-19)16(4)14-29-12-8-9-13-29/h10-11,15-16H,7-9,12-14H2,1-6H3
InChIKeyKPQLNBAMNKFYBM-UHFFFAOYSA-N
XLogP4.55
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2c(nc1-c1ccc(C(C)C)nc1OC)c(C)nn2C(C)CN1CCCC1.
What is the InChIKey of 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?
The InChIKey is KPQLNBAMNKFYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-7-19-22(18-10-11-20(15(2)3)26-24(18)31-6)27-21-17(5)28-30(23(21)25-19)16(4)14-29-12-8-9-13-29/h10-11,15-16H,7-9,12-14H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 422.58 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59995631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).