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

C26H26N6O2 — CID 16678157

IUPACN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide
SMILESNc1nccn2c(C3CCC(CNC(=O)c4ccoc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H26N6O2/c27-24-23-22(21-13-18-3-1-2-4-20(18)30-21)31-25(32(23)11-10-28-24)17-7-5-16(6-8-17)14-29-26(33)19-9-12-34-15-19/h1-4,9-13,15-17,30H,5-8,14H2,(H2,27,28)(H,29,33)
InChIKeyXSVPDCAXUBADNQ-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.76
Rot. Bonds5

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

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide (PubChem CID 16678157) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide
PubChem CID16678157
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide
SMILESNc1nccn2c(C3CCC(CNC(=O)c4ccoc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H26N6O2/c27-24-23-22(21-13-18-3-1-2-4-20(18)30-21)31-25(32(23)11-10-28-24)17-7-5-16(6-8-17)14-29-26(33)19-9-12-34-15-19/h1-4,9-13,15-17,30H,5-8,14H2,(H2,27,28)(H,29,33)
InChIKeyXSVPDCAXUBADNQ-UHFFFAOYSA-N
XLogP4.76
TPSA114.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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]furan-3-carboxamide?
The IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide (CID 16678157) is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide is Nc1nccn2c(C3CCC(CNC(=O)c4ccoc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide?
The InChIKey is XSVPDCAXUBADNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c27-24-23-22(21-13-18-3-1-2-4-20(18)30-21)31-25(32(23)11-10-28-24)17-7-5-16(6-8-17)14-29-26(33)19-9-12-34-15-19/h1-4,9-13,15-17,30H,5-8,14H2,(H2,27,28)(H,29,33).
What are the key properties of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide?
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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]furan-3-carboxamide is sourced from PubChem (CID 16678157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).