N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide

C31H23N9O2S — CID 176699310

About N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide

N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide (PubChem CID 176699310) has the molecular formula C31H23N9O2S and a molecular weight of 585.65 g/mol. Its IUPAC name is N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide
• PubChem CID: 176699310
• Molecular Formula: C31H23N9O2S
• Molecular Weight: 585.65 g/mol
• Exact Mass: 585.17
• IUPAC Name: N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide
• SMILES: Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc2[nH]c(=O)sc2c1
• InChI: InChI=1S/C31H23N9O2S/c32-27-21(3-1-12-33-27)28-35-24-10-11-26(39-14-2-13-34-39)38-29(24)40(28)19-6-7-20-17(15-19)4-8-22(20)36-30(41)18-5-9-23-25(16-18)43-31(42)37-23/h1-3,5-7,9-16,22H,4,8H2,(H2,32,33)(H,36,41)(H,37,42)/t22-/m0/s1
• InChIKey: GDZGMKYNABYUIP-QFIPXVFZSA-N
• XLogP: 4.57
• TPSA: 149.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.65
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide?

The IUPAC name of N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide (CID 176699310) is N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide is Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc2[nH]c(=O)sc2c1.

What is the InChIKey of N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide?

The InChIKey is GDZGMKYNABYUIP-QFIPXVFZSA-N. The full InChI is InChI=1S/C31H23N9O2S/c32-27-21(3-1-12-33-27)28-35-24-10-11-26(39-14-2-13-34-39)38-29(24)40(28)19-6-7-20-17(15-19)4-8-22(20)36-30(41)18-5-9-23-25(16-18)43-31(42)37-23/h1-3,5-7,9-16,22H,4,8H2,(H2,32,33)(H,36,41)(H,37,42)/t22-/m0/s1.

What are the key properties of N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide?

N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide has a molecular weight of 585.65 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(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-oxo-3H-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 176699310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).