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]-5-fluoro-6-methoxypyridine-3-carboxamide

C30H24FN9O2 — CID 176699115

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]-5-fluoro-6-methoxypyridine-3-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]-5-fluoro-6-methoxypyridine-3-carboxamide (PubChem CID 176699115) has the molecular formula C30H24FN9O2 and a molecular weight of 561.58 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]-5-fluoro-6-methoxypyridine-3-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]-5-fluoro-6-methoxypyridine-3-carboxamide
• PubChem CID: 176699115
• Molecular Formula: C30H24FN9O2
• Molecular Weight: 561.58 g/mol
• Exact Mass: 561.20
• 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]-5-fluoro-6-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(C(=O)N[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)cc1F
• InChI: InChI=1S/C30H24FN9O2/c1-42-30-22(31)15-18(16-34-30)29(41)37-23-8-5-17-14-19(6-7-20(17)23)40-27(21-4-2-11-33-26(21)32)36-24-9-10-25(38-28(24)40)39-13-3-12-35-39/h2-4,6-7,9-16,23H,5,8H2,1H3,(H2,32,33)(H,37,41)/t23-/m0/s1
• InChIKey: BULVIAJQNGYQNB-QHCPKHFHSA-N
• XLogP: 4.21
• TPSA: 138.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.58
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
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]-5-fluoro-6-methoxypyridine-3-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]-5-fluoro-6-methoxypyridine-3-carboxamide (CID 176699115) 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]-5-fluoro-6-methoxypyridine-3-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]-5-fluoro-6-methoxypyridine-3-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]-5-fluoro-6-methoxypyridine-3-carboxamide is COc1ncc(C(=O)N[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)cc1F.

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]-5-fluoro-6-methoxypyridine-3-carboxamide?

The InChIKey is BULVIAJQNGYQNB-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H24FN9O2/c1-42-30-22(31)15-18(16-34-30)29(41)37-23-8-5-17-14-19(6-7-20(17)23)40-27(21-4-2-11-33-26(21)32)36-24-9-10-25(38-28(24)40)39-13-3-12-35-39/h2-4,6-7,9-16,23H,5,8H2,1H3,(H2,32,33)(H,37,41)/t23-/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]-5-fluoro-6-methoxypyridine-3-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]-5-fluoro-6-methoxypyridine-3-carboxamide has a molecular weight of 561.58 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 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]-5-fluoro-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 176699115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).