N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H23N9O2S — CID 164548250

About N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164548250) has the molecular formula C25H23N9O2S and a molecular weight of 513.59 g/mol. Its IUPAC name is N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-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-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164548250
• Molecular Formula: C25H23N9O2S
• Molecular Weight: 513.59 g/mol
• Exact Mass: 513.17
• IUPAC Name: N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-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)CN2Cc3ccncc3C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
• InChI: InChI=1S/C25H23N9O2S/c1-15-21(5-19(8-27-15)30-23(35)14-33-11-16-3-4-26-6-17(16)12-33)31-24(36)20-9-29-34-13-22(37-25(20)34)18-7-28-32(2)10-18/h3-10,13H,11-12,14H2,1-2H3,(H,30,35)(H,31,36)
• InChIKey: KTNORZGBSRLABS-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 122.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.59
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-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-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164548250) is N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-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-(1,3-dihydropyrrolo[3,4-c]pyridin-2-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-(1,3-dihydropyrrolo[3,4-c]pyridin-2-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)CN2Cc3ccncc3C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.

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

The InChIKey is KTNORZGBSRLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9O2S/c1-15-21(5-19(8-27-15)30-23(35)14-33-11-16-3-4-26-6-17(16)12-33)31-24(36)20-9-29-34-13-22(37-25(20)34)18-7-28-32(2)10-18/h3-10,13H,11-12,14H2,1-2H3,(H,30,35)(H,31,36).

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

N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-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 513.59 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-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 164548250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).