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

C25H28N8O3S — CID 164547352

IUPAC2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-[(1-methylcyclobutyl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CNC2(C)CCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C25H28N8O3S/c1-15-19(9-16(10-26-15)30-21(34)13-27-25(2)5-3-6-25)31-22(35)18-12-29-33-14-20(37-24(18)33)17-11-28-32-7-4-8-36-23(17)32/h9-12,14,27H,3-8,13H2,1-2H3,(H,30,34)(H,31,35)
InChIKeySGWSGICEGJTSAP-UHFFFAOYSA-N
MW520.62 g/mol
LogP3.47
Rot. Bonds7

About 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-[(1-methylcyclobutyl)amino]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-[(1-methylcyclobutyl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547352) has the molecular formula C25H28N8O3S and a molecular weight of 520.62 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-[(1-methylcyclobutyl)amino]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-[(1-methylcyclobutyl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547352
Molecular FormulaC25H28N8O3S
Molecular Weight520.62 g/mol
Exact Mass520.20
IUPAC Name2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-[(1-methylcyclobutyl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CNC2(C)CCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C25H28N8O3S/c1-15-19(9-16(10-26-15)30-21(34)13-27-25(2)5-3-6-25)31-22(35)18-12-29-33-14-20(37-24(18)33)17-11-28-32-7-4-8-36-23(17)32/h9-12,14,27H,3-8,13H2,1-2H3,(H,30,34)(H,31,35)
InChIKeySGWSGICEGJTSAP-UHFFFAOYSA-N
XLogP3.47
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.62
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-[(1-methylcyclobutyl)amino]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-[(1-methylcyclobutyl)amino]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-[(1-methylcyclobutyl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547352) is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-[(1-methylcyclobutyl)amino]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-[(1-methylcyclobutyl)amino]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-[(1-methylcyclobutyl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CNC2(C)CCC2)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-[(1-methylcyclobutyl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is SGWSGICEGJTSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3S/c1-15-19(9-16(10-26-15)30-21(34)13-27-25(2)5-3-6-25)31-22(35)18-12-29-33-14-20(37-24(18)33)17-11-28-32-7-4-8-36-23(17)32/h9-12,14,27H,3-8,13H2,1-2H3,(H,30,34)(H,31,35).
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-[(1-methylcyclobutyl)amino]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-[(1-methylcyclobutyl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 520.62 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 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-[(1-methylcyclobutyl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).