2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H29N9O4S — CID 164547092

About 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547092) has the molecular formula C25H29N9O4S and a molecular weight of 551.63 g/mol. Its IUPAC name is 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547092
• Molecular Formula: C25H29N9O4S
• Molecular Weight: 551.63 g/mol
• Exact Mass: 551.21
• IUPAC Name: 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN(C)C2CCOCC2)cc1NC(=O)c1cnn2cc(-c3cnn(CC(N)=O)c3)sc12
• InChI: InChI=1S/C25H29N9O4S/c1-15-20(7-17(9-27-15)30-23(36)14-32(2)18-3-5-38-6-4-18)31-24(37)19-10-29-34-12-21(39-25(19)34)16-8-28-33(11-16)13-22(26)35/h7-12,18H,3-6,13-14H2,1-2H3,(H2,26,35)(H,30,36)(H,31,37)
• InChIKey: PJDLLJOHWLYFAV-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 161.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.63
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547092) is 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN(C)C2CCOCC2)cc1NC(=O)c1cnn2cc(-c3cnn(CC(N)=O)c3)sc12.

What is the InChIKey of 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is PJDLLJOHWLYFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O4S/c1-15-20(7-17(9-27-15)30-23(36)14-32(2)18-3-5-38-6-4-18)31-24(37)19-10-29-34-12-21(39-25(19)34)16-8-28-33(11-16)13-22(26)35/h7-12,18H,3-6,13-14H2,1-2H3,(H2,26,35)(H,30,36)(H,31,37).

What are the key properties of 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 551.63 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).