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

C22H24N6O — CID 16679647

IUPACN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide
SMILESNc1nccn2c(C3CCC(CNC=O)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C22H24N6O/c23-21-20-19(18-11-16-3-1-2-4-17(16)26-18)27-22(28(20)10-9-25-21)15-7-5-14(6-8-15)12-24-13-29/h1-4,9-11,13-15,26H,5-8,12H2,(H2,23,25)(H,24,29)
InChIKeyRDVARHXVHVSTSD-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.48
Rot. Bonds5

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

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide (PubChem CID 16679647) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide
PubChem CID16679647
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide
SMILESNc1nccn2c(C3CCC(CNC=O)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C22H24N6O/c23-21-20-19(18-11-16-3-1-2-4-17(16)26-18)27-22(28(20)10-9-25-21)15-7-5-14(6-8-15)12-24-13-29/h1-4,9-11,13-15,26H,5-8,12H2,(H2,23,25)(H,24,29)
InChIKeyRDVARHXVHVSTSD-UHFFFAOYSA-N
XLogP3.48
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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

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Related Compounds

BN-81,644
CID 9802572
3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
CID 53341457
9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 146273897
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 664284
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
1H-Purin-6-amine, N-(2-(1H-indol-3-yl)ethyl)-
CID 165348
UK 34787
CID 194468
N-benzyl-5H-pyrimido[5,4-b]indol-4-amine
CID 814517
N-[(1R)-1-phenylethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 5328387

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]formamide?
The IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide (CID 16679647) is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide.
What is the SMILES notation for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide?
The canonical SMILES for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide is Nc1nccn2c(C3CCC(CNC=O)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]formamide?
The InChIKey is RDVARHXVHVSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-21-20-19(18-11-16-3-1-2-4-17(16)26-18)27-22(28(20)10-9-25-21)15-7-5-14(6-8-15)12-24-13-29/h1-4,9-11,13-15,26H,5-8,12H2,(H2,23,25)(H,24,29).
What are the key properties of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide?
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]formamide has a molecular weight of 388.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 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]formamide is sourced from PubChem (CID 16679647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).