2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C27H30N8O4S — CID 164547454

IUPAC2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CC3(CCCCO3)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C27H30N8O4S/c1-17-21(9-18(10-28-17)31-23(36)14-33-15-27(16-33)5-2-3-8-39-27)32-24(37)20-12-30-35-13-22(40-26(20)35)19-11-29-34-6-4-7-38-25(19)34/h9-13H,2-8,14-16H2,1H3,(H,31,36)(H,32,37)
InChIKeyIECIVSCIBPQVGV-UHFFFAOYSA-N
MW562.66 g/mol
LogP3.19
Rot. Bonds6

About 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(5-oxa-2-azaspiro[3.5]nonan-2-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-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547454) has the molecular formula C27H30N8O4S and a molecular weight of 562.66 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-(5-oxa-2-azaspiro[3.5]nonan-2-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-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547454
Molecular FormulaC27H30N8O4S
Molecular Weight562.66 g/mol
Exact Mass562.21
IUPAC Name2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CC3(CCCCO3)C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3OCCC4)sc12
InChIInChI=1S/C27H30N8O4S/c1-17-21(9-18(10-28-17)31-23(36)14-33-15-27(16-33)5-2-3-8-39-27)32-24(37)20-12-30-35-13-22(40-26(20)35)19-11-29-34-6-4-7-38-25(19)34/h9-13H,2-8,14-16H2,1H3,(H,31,36)(H,32,37)
InChIKeyIECIVSCIBPQVGV-UHFFFAOYSA-N
XLogP3.19
TPSA127.91 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.66
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(5-oxa-2-azaspiro[3.5]nonan-2-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-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547454) is 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[2-methyl-5-[[2-(5-oxa-2-azaspiro[3.5]nonan-2-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-(5-oxa-2-azaspiro[3.5]nonan-2-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-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CC3(CCCCO3)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-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is IECIVSCIBPQVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O4S/c1-17-21(9-18(10-28-17)31-23(36)14-33-15-27(16-33)5-2-3-8-39-27)32-24(37)20-12-30-35-13-22(40-26(20)35)19-11-29-34-6-4-7-38-25(19)34/h9-13H,2-8,14-16H2,1H3,(H,31,36)(H,32,37).
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-(5-oxa-2-azaspiro[3.5]nonan-2-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-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 562.66 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 11 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-(5-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).