N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide

C24H21N5O2 — CID 90157374

IUPACN-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)Oc1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1
InChIInChI=1S/C24H21N5O2/c1-16(2)31-20-10-6-18(7-11-20)22-13-27-23-14-26-21(15-29(22)23)24(30)28(3)19-8-4-17(12-25)5-9-19/h4-11,13-16H,1-3H3
InChIKeyCYHUJZWWUWVPBJ-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.33
Rot. Bonds5

About N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide

N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157374) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157374
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)Oc1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1
InChIInChI=1S/C24H21N5O2/c1-16(2)31-20-10-6-18(7-11-20)22-13-27-23-14-26-21(15-29(22)23)24(30)28(3)19-8-4-17(12-25)5-9-19/h4-11,13-16H,1-3H3
InChIKeyCYHUJZWWUWVPBJ-UHFFFAOYSA-N
XLogP4.33
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157374) is N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide is CC(C)Oc1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is CYHUJZWWUWVPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-16(2)31-20-10-6-18(7-11-20)22-13-27-23-14-26-21(15-29(22)23)24(30)28(3)19-8-4-17(12-25)5-9-19/h4-11,13-16H,1-3H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide?
N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).