4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine

C25H23ClN6O — CID 171352943

IUPAC4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine
SMILESCc1[nH]nc2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Cc3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H23ClN6O/c1-16-20-13-18(4-7-21(20)30-29-16)25-22(12-17-2-5-19(26)6-3-17)32-15-24(27-14-23(32)28-25)31-8-10-33-11-9-31/h2-7,13-15H,8-12H2,1H3,(H,29,30)
InChIKeyAUTXGNJIYMAEKM-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.66
Rot. Bonds4

About 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine

4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine (PubChem CID 171352943) has the molecular formula C25H23ClN6O and a molecular weight of 458.95 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine
PubChem CID171352943
Molecular FormulaC25H23ClN6O
Molecular Weight458.95 g/mol
Exact Mass458.16
IUPAC Name4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine
SMILESCc1[nH]nc2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Cc3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H23ClN6O/c1-16-20-13-18(4-7-21(20)30-29-16)25-22(12-17-2-5-19(26)6-3-17)32-15-24(27-14-23(32)28-25)31-8-10-33-11-9-31/h2-7,13-15H,8-12H2,1H3,(H,29,30)
InChIKeyAUTXGNJIYMAEKM-UHFFFAOYSA-N
XLogP4.66
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine?
The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine (CID 171352943) is 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine is Cc1[nH]nc2ccc(-c3nc4cnc(N5CCOCC5)cn4c3Cc3ccc(Cl)cc3)cc12.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine?
The InChIKey is AUTXGNJIYMAEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O/c1-16-20-13-18(4-7-21(20)30-29-16)25-22(12-17-2-5-19(26)6-3-17)32-15-24(27-14-23(32)28-25)31-8-10-33-11-9-31/h2-7,13-15H,8-12H2,1H3,(H,29,30).
What are the key properties of 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine?
4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine has a molecular weight of 458.95 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine is sourced from PubChem (CID 171352943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).