N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine

C21H23N5 — CID 138535791

IUPACN-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1cccc2c(-c3nc4cnccn4c3NC3CCCCC3)c[nH]c12
InChIInChI=1S/C21H23N5/c1-14-6-5-9-16-17(12-23-19(14)16)20-21(24-15-7-3-2-4-8-15)26-11-10-22-13-18(26)25-20/h5-6,9-13,15,23-24H,2-4,7-8H2,1H3
InChIKeyPFJPBUXQLKMPEN-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.93
Rot. Bonds3

About N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine

N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 138535791) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID138535791
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1cccc2c(-c3nc4cnccn4c3NC3CCCCC3)c[nH]c12
InChIInChI=1S/C21H23N5/c1-14-6-5-9-16-17(12-23-19(14)16)20-21(24-15-7-3-2-4-8-15)26-11-10-22-13-18(26)25-20/h5-6,9-13,15,23-24H,2-4,7-8H2,1H3
InChIKeyPFJPBUXQLKMPEN-UHFFFAOYSA-N
XLogP4.93
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine (CID 138535791) is N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine is Cc1cccc2c(-c3nc4cnccn4c3NC3CCCCC3)c[nH]c12.
What is the InChIKey of N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is PFJPBUXQLKMPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-14-6-5-9-16-17(12-23-19(14)16)20-21(24-15-7-3-2-4-8-15)26-11-10-22-13-18(26)25-20/h5-6,9-13,15,23-24H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine?
N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 345.45 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 138535791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).