2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid

C22H20F2N8O4 — CID 146380588

IUPAC2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4CC(F)(F)CN4C(=O)O)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C22H20F2N8O4/c1-11-7-27-14-3-2-12(9-31(11)14)15-16(20-26-4-5-36-20)30-18(25)17(29-15)19(33)28-8-13-6-22(23,24)10-32(13)21(34)35/h2-5,7,9,13H,6,8,10H2,1H3,(H2,25,30)(H,28,33)(H,34,35)
InChIKeyOVMTVAKXKJKYHU-UHFFFAOYSA-N
MW498.45 g/mol
LogP2.45
Rot. Bonds5

About 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid

2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid (PubChem CID 146380588) has the molecular formula C22H20F2N8O4 and a molecular weight of 498.45 g/mol. Its IUPAC name is 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid
PubChem CID146380588
Molecular FormulaC22H20F2N8O4
Molecular Weight498.45 g/mol
Exact Mass498.16
IUPAC Name2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid
SMILESCc1cnc2ccc(-c3nc(C(=O)NCC4CC(F)(F)CN4C(=O)O)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/C22H20F2N8O4/c1-11-7-27-14-3-2-12(9-31(11)14)15-16(20-26-4-5-36-20)30-18(25)17(29-15)19(33)28-8-13-6-22(23,24)10-32(13)21(34)35/h2-5,7,9,13H,6,8,10H2,1H3,(H2,25,30)(H,28,33)(H,34,35)
InChIKeyOVMTVAKXKJKYHU-UHFFFAOYSA-N
XLogP2.45
TPSA164.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid (CID 146380588) is 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid is Cc1cnc2ccc(-c3nc(C(=O)NCC4CC(F)(F)CN4C(=O)O)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid?
The InChIKey is OVMTVAKXKJKYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N8O4/c1-11-7-27-14-3-2-12(9-31(11)14)15-16(20-26-4-5-36-20)30-18(25)17(29-15)19(33)28-8-13-6-22(23,24)10-32(13)21(34)35/h2-5,7,9,13H,6,8,10H2,1H3,(H2,25,30)(H,28,33)(H,34,35).
What are the key properties of 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid?
2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid has a molecular weight of 498.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-4,4-difluoropyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146380588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).