4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

C22H22ClN5O2 — CID 59133227

IUPAC4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
SMILESCc1cnc(N)c2c(-c3cc4cccc(Cl)c4[nH]3)nc(C3CCC(C(=O)O)CC3)n12
InChIInChI=1S/C22H22ClN5O2/c1-11-10-25-20(24)19-18(16-9-14-3-2-4-15(23)17(14)26-16)27-21(28(11)19)12-5-7-13(8-6-12)22(29)30/h2-4,9-10,12-13,26H,5-8H2,1H3,(H2,24,25)(H,29,30)
InChIKeyCXCZLWOOBFNQCY-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.78
Rot. Bonds3

About 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 59133227) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
PubChem CID59133227
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
SMILESCc1cnc(N)c2c(-c3cc4cccc(Cl)c4[nH]3)nc(C3CCC(C(=O)O)CC3)n12
InChIInChI=1S/C22H22ClN5O2/c1-11-10-25-20(24)19-18(16-9-14-3-2-4-15(23)17(14)26-16)27-21(28(11)19)12-5-7-13(8-6-12)22(29)30/h2-4,9-10,12-13,26H,5-8H2,1H3,(H2,24,25)(H,29,30)
InChIKeyCXCZLWOOBFNQCY-UHFFFAOYSA-N
XLogP4.78
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (CID 59133227) is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is Cc1cnc(N)c2c(-c3cc4cccc(Cl)c4[nH]3)nc(C3CCC(C(=O)O)CC3)n12.
What is the InChIKey of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The InChIKey is CXCZLWOOBFNQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-11-10-25-20(24)19-18(16-9-14-3-2-4-15(23)17(14)26-16)27-21(28(11)19)12-5-7-13(8-6-12)22(29)30/h2-4,9-10,12-13,26H,5-8H2,1H3,(H2,24,25)(H,29,30).
What are the key properties of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 423.90 g/mol, XLogP of 4.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 59133227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).