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

C24H26N8O3S — CID 164547468

IUPAC2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CC(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C24H26N8O3S/c1-14-10-30(11-14)13-21(33)28-16-6-19(15(2)25-7-16)29-22(34)18-9-27-32-12-20(36-24(18)32)17-8-26-31-4-3-5-35-23(17)31/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyYWADLNNLYJEVCU-UHFFFAOYSA-N
MW506.59 g/mol
LogP2.89
Rot. Bonds6

About 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-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-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547468) has the molecular formula C24H26N8O3S and a molecular weight of 506.59 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-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-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547468
Molecular FormulaC24H26N8O3S
Molecular Weight506.59 g/mol
Exact Mass506.18
IUPAC Name2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CC(C)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C24H26N8O3S/c1-14-10-30(11-14)13-21(33)28-16-6-19(15(2)25-7-16)29-22(34)18-9-27-32-12-20(36-24(18)32)17-8-26-31-4-3-5-35-23(17)31/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyYWADLNNLYJEVCU-UHFFFAOYSA-N
XLogP2.89
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]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-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-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-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547468) is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-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-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-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-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CC(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-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is YWADLNNLYJEVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3S/c1-14-10-30(11-14)13-21(33)28-16-6-19(15(2)25-7-16)29-22(34)18-9-27-32-12-20(36-24(18)32)17-8-26-31-4-3-5-35-23(17)31/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,28,33)(H,29,34).
What are the key properties of 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-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-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 506.59 g/mol, XLogP of 2.89, 6 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-[2-methyl-5-[[2-(3-methylazetidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).