N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane

C31H29N9O2 — CID 176699326

About N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane

N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane (PubChem CID 176699326) has the molecular formula C31H29N9O2 and a molecular weight of 559.63 g/mol. Its IUPAC name is N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane
• PubChem CID: 176699326
• Molecular Formula: C31H29N9O2
• Molecular Weight: 559.63 g/mol
• Exact Mass: 559.24
• IUPAC Name: N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane
• SMILES: C=Cc1coc(C(=O)NC2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)n1.CC
• InChI: InChI=1S/C29H23N9O2.C2H6/c1-2-18-16-40-29(33-18)28(39)35-22-9-6-17-15-19(7-8-20(17)22)38-26(21-5-3-12-31-25(21)30)34-23-10-11-24(36-27(23)38)37-14-4-13-32-37;1-2/h2-5,7-8,10-16,22H,1,6,9H2,(H2,30,31)(H,35,39);1-2H3
• InChIKey: CYKIPTPKQAZMMS-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 142.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.63
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane?

The IUPAC name of N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane (CID 176699326) is N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane.

What is the SMILES notation for N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane?

The canonical SMILES for N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane is C=Cc1coc(C(=O)NC2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)n1.CC.

What is the InChIKey of N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane?

The InChIKey is CYKIPTPKQAZMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N9O2.C2H6/c1-2-18-16-40-29(33-18)28(39)35-22-9-6-17-15-19(7-8-20(17)22)38-26(21-5-3-12-31-25(21)30)34-23-10-11-24(36-27(23)38)37-14-4-13-32-37;1-2/h2-5,7-8,10-16,22H,1,6,9H2,(H2,30,31)(H,35,39);1-2H3.

What are the key properties of N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane?

N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane has a molecular weight of 559.63 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-ethenyl-1,3-oxazole-2-carboxamide;ethane is sourced from PubChem (CID 176699326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).