2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H30N8O3S — CID 167138804

IUPAC2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(NC(=O)CN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cnc4n3CCOC4)sc12
InChIInChI=1S/C25H30N8O3S/c1-15-18(6-16(7-26-15)29-22(34)11-31-13-25(2,3)14-31)30-23(35)17-8-28-33-10-20(37-24(17)33)19-9-27-21-12-36-5-4-32(19)21/h6-10,15,26H,4-5,11-14H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyIUQWQFPEABZVMS-UHFFFAOYSA-N
MW522.64 g/mol
LogP1.69
Rot. Bonds6

About 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167138804) has the molecular formula C25H30N8O3S and a molecular weight of 522.64 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID167138804
Molecular FormulaC25H30N8O3S
Molecular Weight522.64 g/mol
Exact Mass522.22
IUPAC Name2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(NC(=O)CN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cnc4n3CCOC4)sc12
InChIInChI=1S/C25H30N8O3S/c1-15-18(6-16(7-26-15)29-22(34)11-31-13-25(2,3)14-31)30-23(35)17-8-28-33-10-20(37-24(17)33)19-9-27-21-12-36-5-4-32(19)21/h6-10,15,26H,4-5,11-14H2,1-3H3,(H,29,34)(H,30,35)
InChIKeyIUQWQFPEABZVMS-UHFFFAOYSA-N
XLogP1.69
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.64
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167138804) is 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CC1NC=C(NC(=O)CN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cnc4n3CCOC4)sc12.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is IUQWQFPEABZVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O3S/c1-15-18(6-16(7-26-15)29-22(34)11-31-13-25(2,3)14-31)30-23(35)17-8-28-33-10-20(37-24(17)33)19-9-27-21-12-36-5-4-32(19)21/h6-10,15,26H,4-5,11-14H2,1-3H3,(H,29,34)(H,30,35).
What are the key properties of 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 522.64 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-1,2-dihydropyridin-3-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167138804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).