methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

C25H29N5O3 — CID 59133016

IUPACmethyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3cc4cccc(OC(C)C)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C25H29N5O3/c1-14(2)33-19-6-4-5-17-13-18(28-20(17)19)21-22-23(26)27-11-12-30(22)24(29-21)15-7-9-16(10-8-15)25(31)32-3/h4-6,11-16,28H,7-10H2,1-3H3,(H2,26,27)
InChIKeyUAXCJYYPAHYODD-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.69
Rot. Bonds5

About methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (PubChem CID 59133016) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
PubChem CID59133016
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Namemethyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3cc4cccc(OC(C)C)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C25H29N5O3/c1-14(2)33-19-6-4-5-17-13-18(28-20(17)19)21-22-23(26)27-11-12-30(22)24(29-21)15-7-9-16(10-8-15)25(31)32-3/h4-6,11-16,28H,7-10H2,1-3H3,(H2,26,27)
InChIKeyUAXCJYYPAHYODD-UHFFFAOYSA-N
XLogP4.69
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (CID 59133016) is methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nc(-c3cc4cccc(OC(C)C)c4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The InChIKey is UAXCJYYPAHYODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-14(2)33-19-6-4-5-17-13-18(28-20(17)19)21-22-23(26)27-11-12-30(22)24(29-21)15-7-9-16(10-8-15)25(31)32-3/h4-6,11-16,28H,7-10H2,1-3H3,(H2,26,27).
What are the key properties of methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate has a molecular weight of 447.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 59133016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).