2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C26H30N8O3S — CID 164547628

IUPAC2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C26H30N8O3S/c1-16-20(9-17(10-28-16)22(35)27-5-7-32-14-26(2,3)15-32)31-23(36)19-12-30-34-13-21(38-25(19)34)18-11-29-33-6-4-8-37-24(18)33/h9-13H,4-8,14-15H2,1-3H3,(H,27,35)(H,31,36)
InChIKeyXMWMGWQBPKRDQH-UHFFFAOYSA-N
MW534.65 g/mol
LogP3.07
Rot. Bonds7

About 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547628) has the molecular formula C26H30N8O3S and a molecular weight of 534.65 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547628
Molecular FormulaC26H30N8O3S
Molecular Weight534.65 g/mol
Exact Mass534.22
IUPAC Name2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C26H30N8O3S/c1-16-20(9-17(10-28-16)22(35)27-5-7-32-14-26(2,3)15-32)31-23(36)19-12-30-34-13-21(38-25(19)34)18-11-29-33-6-4-8-37-24(18)33/h9-13H,4-8,14-15H2,1-3H3,(H,27,35)(H,31,36)
InChIKeyXMWMGWQBPKRDQH-UHFFFAOYSA-N
XLogP3.07
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.65
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547628) is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CC(C)(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is XMWMGWQBPKRDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3S/c1-16-20(9-17(10-28-16)22(35)27-5-7-32-14-26(2,3)15-32)31-23(36)19-12-30-34-13-21(38-25(19)34)18-11-29-33-6-4-8-37-24(18)33/h9-13H,4-8,14-15H2,1-3H3,(H,27,35)(H,31,36).
What are the key properties of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 534.65 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).