3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

C17H21N7O2 — CID 129338735

IUPAC3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC[C@@H]2CN(Cc3cnc4cnccn34)CCO2)c1=O
InChIInChI=1S/C17H21N7O2/c1-22-4-3-19-16(17(22)25)21-9-14-12-23(6-7-26-14)11-13-8-20-15-10-18-2-5-24(13)15/h2-5,8,10,14H,6-7,9,11-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyNMNIMUUPDDKJPT-CQSZACIVSA-N
MW355.40 g/mol
LogP0.14
Rot. Bonds5

About 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (PubChem CID 129338735) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
PubChem CID129338735
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NC[C@@H]2CN(Cc3cnc4cnccn34)CCO2)c1=O
InChIInChI=1S/C17H21N7O2/c1-22-4-3-19-16(17(22)25)21-9-14-12-23(6-7-26-14)11-13-8-20-15-10-18-2-5-24(13)15/h2-5,8,10,14H,6-7,9,11-12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyNMNIMUUPDDKJPT-CQSZACIVSA-N
XLogP0.14
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (CID 129338735) is 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is Cn1ccnc(NC[C@@H]2CN(Cc3cnc4cnccn34)CCO2)c1=O.
What is the InChIKey of 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The InChIKey is NMNIMUUPDDKJPT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-22-4-3-19-16(17(22)25)21-9-14-12-23(6-7-26-14)11-13-8-20-15-10-18-2-5-24(13)15/h2-5,8,10,14H,6-7,9,11-12H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one has a molecular weight of 355.40 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-(imidazo[1,2-a]pyrazin-3-ylmethyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129338735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).