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

C26H30N8O3S — CID 164547267

IUPACN-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCCCCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C26H30N8O3S/c1-17-21(11-18(12-27-17)30-23(35)16-32-7-4-2-3-5-8-32)31-24(36)20-14-29-34-15-22(38-26(20)34)19-13-28-33-9-6-10-37-25(19)33/h11-15H,2-10,16H2,1H3,(H,30,35)(H,31,36)
InChIKeyNEAGNZKIOLSNRA-UHFFFAOYSA-N
MW534.65 g/mol
LogP3.81
Rot. Bonds6

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

N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547267) has the molecular formula C26H30N8O3S and a molecular weight of 534.65 g/mol. Its IUPAC name is N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547267
Molecular FormulaC26H30N8O3S
Molecular Weight534.65 g/mol
Exact Mass534.22
IUPAC NameN-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCCCCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C26H30N8O3S/c1-17-21(11-18(12-27-17)30-23(35)16-32-7-4-2-3-5-8-32)31-24(36)20-14-29-34-15-22(38-26(20)34)19-13-28-33-9-6-10-37-25(19)33/h11-15H,2-10,16H2,1H3,(H,30,35)(H,31,36)
InChIKeyNEAGNZKIOLSNRA-UHFFFAOYSA-N
XLogP3.81
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.65
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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 N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547267) is N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCCCCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12.
What is the InChIKey of N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is NEAGNZKIOLSNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3S/c1-17-21(11-18(12-27-17)30-23(35)16-32-7-4-2-3-5-8-32)31-24(36)20-14-29-34-15-22(38-26(20)34)19-13-28-33-9-6-10-37-25(19)33/h11-15H,2-10,16H2,1H3,(H,30,35)(H,31,36).
What are the key properties of N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 534.65 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).