4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine

C21H21ClN6O — CID 67448095

IUPAC4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)nccn2c1-c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C21H21ClN6O/c1-15-19(17-12-24-27(14-17)13-16-4-2-3-5-18(16)22)28-7-6-23-20(21(28)25-15)26-8-10-29-11-9-26/h2-7,12,14H,8-11,13H2,1H3
InChIKeyLKMNLYWDROYDRE-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.44
Rot. Bonds4

About 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine

4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 67448095) has the molecular formula C21H21ClN6O and a molecular weight of 408.89 g/mol. Its IUPAC name is 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID67448095
Molecular FormulaC21H21ClN6O
Molecular Weight408.89 g/mol
Exact Mass408.15
IUPAC Name4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCc1nc2c(N3CCOCC3)nccn2c1-c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C21H21ClN6O/c1-15-19(17-12-24-27(14-17)13-16-4-2-3-5-18(16)22)28-7-6-23-20(21(28)25-15)26-8-10-29-11-9-26/h2-7,12,14H,8-11,13H2,1H3
InChIKeyLKMNLYWDROYDRE-UHFFFAOYSA-N
XLogP3.44
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine (CID 67448095) is 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine is Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is LKMNLYWDROYDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O/c1-15-19(17-12-24-27(14-17)13-16-4-2-3-5-18(16)22)28-7-6-23-20(21(28)25-15)26-8-10-29-11-9-26/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 408.89 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 67448095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).