2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide

C30H29N9O2 — CID 177272585

About 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide

2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide (PubChem CID 177272585) has the molecular formula C30H29N9O2 and a molecular weight of 547.62 g/mol. Its IUPAC name is 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
• PubChem CID: 177272585
• Molecular Formula: C30H29N9O2
• Molecular Weight: 547.62 g/mol
• Exact Mass: 547.24
• IUPAC Name: 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide
• SMILES: CN1C(=O)CCC1C(C(N)=O)[C@@H]1CCc2cc(-n3c(-c4cccnc4N)nc4ccc(-n5cccn5)nc43)ccc21
• InChI: InChI=1S/C30H29N9O2/c1-37-23(10-12-25(37)40)26(28(32)41)20-7-5-17-16-18(6-8-19(17)20)39-29(21-4-2-13-33-27(21)31)35-22-9-11-24(36-30(22)39)38-15-3-14-34-38/h2-4,6,8-9,11,13-16,20,23,26H,5,7,10,12H2,1H3,(H2,31,33)(H2,32,41)/t20-,23?,26?/m1/s1
• InChIKey: JDUCYAUMXLHYHE-GZSFQLOGSA-N
• XLogP: 3.00
• TPSA: 150.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.62
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?

The IUPAC name of 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide (CID 177272585) is 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide.

What is the SMILES notation for 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?

The canonical SMILES for 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide is CN1C(=O)CCC1C(C(N)=O)[C@@H]1CCc2cc(-n3c(-c4cccnc4N)nc4ccc(-n5cccn5)nc43)ccc21.

What is the InChIKey of 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?

The InChIKey is JDUCYAUMXLHYHE-GZSFQLOGSA-N. The full InChI is InChI=1S/C30H29N9O2/c1-37-23(10-12-25(37)40)26(28(32)41)20-7-5-17-16-18(6-8-19(17)20)39-29(21-4-2-13-33-27(21)31)35-22-9-11-24(36-30(22)39)38-15-3-14-34-38/h2-4,6,8-9,11,13-16,20,23,26H,5,7,10,12H2,1H3,(H2,31,33)(H2,32,41)/t20-,23?,26?/m1/s1.

What are the key properties of 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide?

2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide has a molecular weight of 547.62 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(1-methyl-5-oxopyrrolidin-2-yl)acetamide is sourced from PubChem (CID 177272585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).