3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C24H27N9O3 — CID 155209302

IUPAC3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4CCN(C(=O)N(C)C)C4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C24H27N9O3/c1-14-10-27-17-5-4-16(13-33(14)17)18-19(23-26-7-9-36-23)30-21(25)20(29-18)22(34)28-11-15-6-8-32(12-15)24(35)31(2)3/h4-5,7,9-10,13,15H,6,8,11-12H2,1-3H3,(H2,25,30)(H,28,34)
InChIKeyXXCWCQIPJSEJPS-UHFFFAOYSA-N
MW489.54 g/mol
LogP2.07
Rot. Bonds5

About 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 155209302) has the molecular formula C24H27N9O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID155209302
Molecular FormulaC24H27N9O3
Molecular Weight489.54 g/mol
Exact Mass489.22
IUPAC Name3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4CCN(C(=O)N(C)C)C4)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C24H27N9O3/c1-14-10-27-17-5-4-16(13-33(14)17)18-19(23-26-7-9-36-23)30-21(25)20(29-18)22(34)28-11-15-6-8-32(12-15)24(35)31(2)3/h4-5,7,9-10,13,15H,6,8,11-12H2,1-3H3,(H2,25,30)(H,28,34)
InChIKeyXXCWCQIPJSEJPS-UHFFFAOYSA-N
XLogP2.07
TPSA147.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 155209302) is 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1cnc2ccc(-c3nc(C(=O)NCC4CCN(C(=O)N(C)C)C4)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is XXCWCQIPJSEJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O3/c1-14-10-27-17-5-4-16(13-33(14)17)18-19(23-26-7-9-36-23)30-21(25)20(29-18)22(34)28-11-15-6-8-32(12-15)24(35)31(2)3/h4-5,7,9-10,13,15H,6,8,11-12H2,1-3H3,(H2,25,30)(H,28,34).
What are the key properties of 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]methyl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155209302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).