N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide

C24H21N5O — CID 155544741

IUPACN,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCN(C)C(=O)c1cccc(-c2cn3c(-c4ccc5c(ccn5C)c4)cnc3cn2)c1
InChIInChI=1S/C24H21N5O/c1-27(2)24(30)19-6-4-5-16(11-19)20-15-29-22(13-26-23(29)14-25-20)17-7-8-21-18(12-17)9-10-28(21)3/h4-15H,1-3H3
InChIKeyNUADCVPNYOCWRH-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.26
Rot. Bonds3

About N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide

N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 155544741) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID155544741
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCN(C)C(=O)c1cccc(-c2cn3c(-c4ccc5c(ccn5C)c4)cnc3cn2)c1
InChIInChI=1S/C24H21N5O/c1-27(2)24(30)19-6-4-5-16(11-19)20-15-29-22(13-26-23(29)14-25-20)17-7-8-21-18(12-17)9-10-28(21)3/h4-15H,1-3H3
InChIKeyNUADCVPNYOCWRH-UHFFFAOYSA-N
XLogP4.26
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 155544741) is N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide is CN(C)C(=O)c1cccc(-c2cn3c(-c4ccc5c(ccn5C)c4)cnc3cn2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is NUADCVPNYOCWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-27(2)24(30)19-6-4-5-16(11-19)20-15-29-22(13-26-23(29)14-25-20)17-7-8-21-18(12-17)9-10-28(21)3/h4-15H,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 395.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 155544741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).