N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide

C19H23N5O2 — CID 58617106

IUPACN-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn3ccnc3c(N[C@@H](CO)C(C)C)n2)c1
InChIInChI=1S/C19H23N5O2/c1-12(2)17(11-25)23-18-19-20-7-8-24(19)10-16(22-18)14-5-4-6-15(9-14)21-13(3)26/h4-10,12,17,25H,11H2,1-3H3,(H,21,26)(H,22,23)/t17-/m0/s1
InChIKeyUZUOCGHXWSWECO-KRWDZBQOSA-N
MW353.43 g/mol
LogP2.78
Rot. Bonds6

About N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide

N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide (PubChem CID 58617106) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
PubChem CID58617106
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn3ccnc3c(N[C@@H](CO)C(C)C)n2)c1
InChIInChI=1S/C19H23N5O2/c1-12(2)17(11-25)23-18-19-20-7-8-24(19)10-16(22-18)14-5-4-6-15(9-14)21-13(3)26/h4-10,12,17,25H,11H2,1-3H3,(H,21,26)(H,22,23)/t17-/m0/s1
InChIKeyUZUOCGHXWSWECO-KRWDZBQOSA-N
XLogP2.78
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide (CID 58617106) is N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cn3ccnc3c(N[C@@H](CO)C(C)C)n2)c1.
What is the InChIKey of N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide?
The InChIKey is UZUOCGHXWSWECO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)17(11-25)23-18-19-20-7-8-24(19)10-16(22-18)14-5-4-6-15(9-14)21-13(3)26/h4-10,12,17,25H,11H2,1-3H3,(H,21,26)(H,22,23)/t17-/m0/s1.
What are the key properties of N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide?
N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide is sourced from PubChem (CID 58617106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).