N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide

C30H32N6O3 — CID 16678154

IUPACN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1
InChIInChI=1S/C30H32N6O3/c1-38-22-13-21(14-23(16-22)39-2)30(37)33-17-18-7-9-19(10-8-18)29-35-26(27-28(31)32-11-12-36(27)29)25-15-20-5-3-4-6-24(20)34-25/h3-6,11-16,18-19,34H,7-10,17H2,1-2H3,(H2,31,32)(H,33,37)
InChIKeyYVYPTGYQRXNSGT-UHFFFAOYSA-N
MW524.63 g/mol
LogP5.18
Rot. Bonds7

About N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide (PubChem CID 16678154) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide
PubChem CID16678154
Molecular FormulaC30H32N6O3
Molecular Weight524.63 g/mol
Exact Mass524.25
IUPAC NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1
InChIInChI=1S/C30H32N6O3/c1-38-22-13-21(14-23(16-22)39-2)30(37)33-17-18-7-9-19(10-8-18)29-35-26(27-28(31)32-11-12-36(27)29)25-15-20-5-3-4-6-24(20)34-25/h3-6,11-16,18-19,34H,7-10,17H2,1-2H3,(H2,31,32)(H,33,37)
InChIKeyYVYPTGYQRXNSGT-UHFFFAOYSA-N
XLogP5.18
TPSA119.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide (CID 16678154) is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.
What is the InChIKey of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide?
The InChIKey is YVYPTGYQRXNSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-38-22-13-21(14-23(16-22)39-2)30(37)33-17-18-7-9-19(10-8-18)29-35-26(27-28(31)32-11-12-36(27)29)25-15-20-5-3-4-6-24(20)34-25/h3-6,11-16,18-19,34H,7-10,17H2,1-2H3,(H2,31,32)(H,33,37).
What are the key properties of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide?
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide has a molecular weight of 524.63 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 16678154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).