2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C27H29N7O4S — CID 164547188

IUPAC2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CCOCC45CCC5)cnc3C)c2s1
InChIInChI=1S/C27H29N7O4S/c1-17-21(11-18(12-29-17)31-23(35)15-33-9-10-38-16-27(33)6-4-7-27)32-24(36)20-13-30-34-14-22(39-26(20)34)19-5-3-8-28-25(19)37-2/h3,5,8,11-14H,4,6-7,9-10,15-16H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyDQQGAQJVAPQEHM-UHFFFAOYSA-N
MW547.64 g/mol
LogP3.62
Rot. Bonds7

About 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547188) has the molecular formula C27H29N7O4S and a molecular weight of 547.64 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547188
Molecular FormulaC27H29N7O4S
Molecular Weight547.64 g/mol
Exact Mass547.20
IUPAC Name2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CCOCC45CCC5)cnc3C)c2s1
InChIInChI=1S/C27H29N7O4S/c1-17-21(11-18(12-29-17)31-23(35)15-33-9-10-38-16-27(33)6-4-7-27)32-24(36)20-13-30-34-14-22(39-26(20)34)19-5-3-8-28-25(19)37-2/h3,5,8,11-14H,4,6-7,9-10,15-16H2,1-2H3,(H,31,35)(H,32,36)
InChIKeyDQQGAQJVAPQEHM-UHFFFAOYSA-N
XLogP3.62
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.64
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-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-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547188) is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CCOCC45CCC5)cnc3C)c2s1.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is DQQGAQJVAPQEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O4S/c1-17-21(11-18(12-29-17)31-23(35)15-33-9-10-38-16-27(33)6-4-7-27)32-24(36)20-13-30-34-14-22(39-26(20)34)19-5-3-8-28-25(19)37-2/h3,5,8,11-14H,4,6-7,9-10,15-16H2,1-2H3,(H,31,35)(H,32,36).
What are the key properties of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 547.64 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).