3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile

C20H18N6O2 — CID 159609526

IUPAC3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1-n1cc(C(=O)Cc2ccc([C@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C20H18N6O2/c21-10-17-20(24-6-5-23-17)26-13-16(11-25-26)18(27)9-14-1-3-15(4-2-14)19-12-22-7-8-28-19/h1-6,11,13,19,22H,7-9,12H2/t19-/m1/s1
InChIKeyMMMRGDSZTXNMGI-LJQANCHMSA-N
MW374.40 g/mol
LogP1.62
Rot. Bonds5

About 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile

3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile (PubChem CID 159609526) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile
PubChem CID159609526
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1-n1cc(C(=O)Cc2ccc([C@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C20H18N6O2/c21-10-17-20(24-6-5-23-17)26-13-16(11-25-26)18(27)9-14-1-3-15(4-2-14)19-12-22-7-8-28-19/h1-6,11,13,19,22H,7-9,12H2/t19-/m1/s1
InChIKeyMMMRGDSZTXNMGI-LJQANCHMSA-N
XLogP1.62
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile (CID 159609526) is 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1-n1cc(C(=O)Cc2ccc([C@H]3CNCCO3)cc2)cn1.
What is the InChIKey of 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile?
The InChIKey is MMMRGDSZTXNMGI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-10-17-20(24-6-5-23-17)26-13-16(11-25-26)18(27)9-14-1-3-15(4-2-14)19-12-22-7-8-28-19/h1-6,11,13,19,22H,7-9,12H2/t19-/m1/s1.
What are the key properties of 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile?
3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-[(2S)-morpholin-2-yl]phenyl]acetyl]pyrazol-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 159609526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).