4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine

C21H26N6O2 — CID 67423384

IUPAC4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCO[C@H]1CCN(c2ccc(-c3c(C)nc4c(N5CCOCC5)nccn34)cn2)C1
InChIInChI=1S/C21H26N6O2/c1-15-19(16-3-4-18(23-13-16)26-7-5-17(14-26)28-2)27-8-6-22-20(21(27)24-15)25-9-11-29-12-10-25/h3-4,6,8,13,17H,5,7,9-12,14H2,1-2H3/t17-/m0/s1
InChIKeyJPGGKLPCEFNAID-KRWDZBQOSA-N
MW394.48 g/mol
LogP2.16
Rot. Bonds4

About 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine

4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 67423384) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID67423384
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCO[C@H]1CCN(c2ccc(-c3c(C)nc4c(N5CCOCC5)nccn34)cn2)C1
InChIInChI=1S/C21H26N6O2/c1-15-19(16-3-4-18(23-13-16)26-7-5-17(14-26)28-2)27-8-6-22-20(21(27)24-15)25-9-11-29-12-10-25/h3-4,6,8,13,17H,5,7,9-12,14H2,1-2H3/t17-/m0/s1
InChIKeyJPGGKLPCEFNAID-KRWDZBQOSA-N
XLogP2.16
TPSA68.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine (CID 67423384) is 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine is CO[C@H]1CCN(c2ccc(-c3c(C)nc4c(N5CCOCC5)nccn34)cn2)C1.
What is the InChIKey of 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is JPGGKLPCEFNAID-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-19(16-3-4-18(23-13-16)26-7-5-17(14-26)28-2)27-8-6-22-20(21(27)24-15)25-9-11-29-12-10-25/h3-4,6,8,13,17H,5,7,9-12,14H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 394.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 67423384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).