(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol

C22H30N4O — CID 24788873

IUPAC(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
SMILESCCc1nc(C(C)C)ccc1-c1nc2c(nc1C)c([C@H](C)CCO)cn2C
InChIInChI=1S/C22H30N4O/c1-7-18-16(8-9-19(24-18)13(2)3)20-15(5)23-21-17(14(4)10-11-27)12-26(6)22(21)25-20/h8-9,12-14,27H,7,10-11H2,1-6H3/t14-/m1/s1
InChIKeyZXNPXUDAMOKEQZ-CQSZACIVSA-N
MW366.51 g/mol
LogP4.51
Rot. Bonds6

About (3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol

(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol (PubChem CID 24788873) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
PubChem CID24788873
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
SMILESCCc1nc(C(C)C)ccc1-c1nc2c(nc1C)c([C@H](C)CCO)cn2C
InChIInChI=1S/C22H30N4O/c1-7-18-16(8-9-19(24-18)13(2)3)20-15(5)23-21-17(14(4)10-11-27)12-26(6)22(21)25-20/h8-9,12-14,27H,7,10-11H2,1-6H3/t14-/m1/s1
InChIKeyZXNPXUDAMOKEQZ-CQSZACIVSA-N
XLogP4.51
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol?
The IUPAC name of (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) is (3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol.
What is the SMILES notation for (3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol?
The canonical SMILES for (3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol is CCc1nc(C(C)C)ccc1-c1nc2c(nc1C)c([C@H](C)CCO)cn2C.
What is the InChIKey of (3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol?
The InChIKey is ZXNPXUDAMOKEQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H30N4O/c1-7-18-16(8-9-19(24-18)13(2)3)20-15(5)23-21-17(14(4)10-11-27)12-26(6)22(21)25-20/h8-9,12-14,27H,7,10-11H2,1-6H3/t14-/m1/s1.
What are the key properties of (3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol?
(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol has a molecular weight of 366.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol is sourced from PubChem (CID 24788873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).