(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol

C19H19N5O — CID 141358659

IUPAC(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol
SMILESCC(C)[C@H](CO)n1cnc2ncc(-c3cccc4ncccc34)nc21
InChIInChI=1S/C19H19N5O/c1-12(2)17(10-25)24-11-22-18-19(24)23-16(9-21-18)14-5-3-7-15-13(14)6-4-8-20-15/h3-9,11-12,17,25H,10H2,1-2H3/t17-/m0/s1
InChIKeySYKHJBHZIBAZCW-KRWDZBQOSA-N
MW333.40 g/mol
LogP3.23
Rot. Bonds4

About (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol

(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol (PubChem CID 141358659) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol
PubChem CID141358659
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol
SMILESCC(C)[C@H](CO)n1cnc2ncc(-c3cccc4ncccc34)nc21
InChIInChI=1S/C19H19N5O/c1-12(2)17(10-25)24-11-22-18-19(24)23-16(9-21-18)14-5-3-7-15-13(14)6-4-8-20-15/h3-9,11-12,17,25H,10H2,1-2H3/t17-/m0/s1
InChIKeySYKHJBHZIBAZCW-KRWDZBQOSA-N
XLogP3.23
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol (CID 141358659) is (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol is CC(C)[C@H](CO)n1cnc2ncc(-c3cccc4ncccc34)nc21.
What is the InChIKey of (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol?
The InChIKey is SYKHJBHZIBAZCW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12(2)17(10-25)24-11-22-18-19(24)23-16(9-21-18)14-5-3-7-15-13(14)6-4-8-20-15/h3-9,11-12,17,25H,10H2,1-2H3/t17-/m0/s1.
What are the key properties of (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol?
(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol has a molecular weight of 333.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol is sourced from PubChem (CID 141358659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).