N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C26H25N9O2S — CID 164547560

About N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547560) has the molecular formula C26H25N9O2S and a molecular weight of 527.61 g/mol. Its IUPAC name is N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547560
• Molecular Formula: C26H25N9O2S
• Molecular Weight: 527.61 g/mol
• Exact Mass: 527.19
• IUPAC Name: N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCc3ncccc3C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
• InChI: InChI=1S/C26H25N9O2S/c1-16-22(32-25(37)20-11-30-35-14-23(38-26(20)35)18-9-29-33(2)12-18)8-19(10-28-16)31-24(36)15-34-7-5-21-17(13-34)4-3-6-27-21/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3,(H,31,36)(H,32,37)
• InChIKey: YUYREMMDDYQCIE-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 122.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.61
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547560) is N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCc3ncccc3C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.

What is the InChIKey of N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is YUYREMMDDYQCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O2S/c1-16-22(32-25(37)20-11-30-35-14-23(38-26(20)35)18-9-29-33(2)12-18)8-19(10-28-16)31-24(36)15-34-7-5-21-17(13-34)4-3-6-27-21/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3,(H,31,36)(H,32,37).

What are the key properties of N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 527.61 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).