ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

C26H40N8O2 — CID 177041299

About ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 177041299) has the molecular formula C26H40N8O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
• PubChem CID: 177041299
• Molecular Formula: C26H40N8O2
• Molecular Weight: 496.66 g/mol
• Exact Mass: 496.33
• IUPAC Name: ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
• SMILES: CC.CC.CCOc1nc2nn(C)cc2cc1NC(=O)N1CCc2c(N3CCNC(C)C3)ccnc21
• InChI: InChI=1S/C22H28N8O2.2C2H6/c1-4-32-21-17(11-15-13-28(3)27-19(15)26-21)25-22(31)30-9-6-16-18(5-7-24-20(16)30)29-10-8-23-14(2)12-29;2*1-2/h5,7,11,13-14,23H,4,6,8-10,12H2,1-3H3,(H,25,31);2*1-2H3
• InChIKey: JVMLJRJMRBWGFR-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 100.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.66
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?

The IUPAC name of ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (CID 177041299) is ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.

What is the SMILES notation for ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?

The canonical SMILES for ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is CC.CC.CCOc1nc2nn(C)cc2cc1NC(=O)N1CCc2c(N3CCNC(C)C3)ccnc21.

What is the InChIKey of ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?

The InChIKey is JVMLJRJMRBWGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2.2C2H6/c1-4-32-21-17(11-15-13-28(3)27-19(15)26-21)25-22(31)30-9-6-16-18(5-7-24-20(16)30)29-10-8-23-14(2)12-29;2*1-2/h5,7,11,13-14,23H,4,6,8-10,12H2,1-3H3,(H,25,31);2*1-2H3.

What are the key properties of ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?

ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 496.66 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-(6-ethoxy-2-methylpyrazolo[3,4-b]pyridin-5-yl)-4-(3-methylpiperazin-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 177041299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).