2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide

C27H32N4O5 — CID 167136925

About 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide

2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 167136925) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
• PubChem CID: 167136925
• Molecular Formula: C27H32N4O5
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.24
• IUPAC Name: 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
• SMILES: COCC12CC(n3cc4cc(C(=O)Nc5cccn([C@@H]6C[C@@H]6C)c5=O)c(OC(C)C)cc4n3)(CO1)C2
• InChI: InChI=1S/C27H32N4O5/c1-16(2)36-23-10-21-18(11-31(29-21)26-12-27(13-26,15-34-4)35-14-26)9-19(23)24(32)28-20-6-5-7-30(25(20)33)22-8-17(22)3/h5-7,9-11,16-17,22H,8,12-15H2,1-4H3,(H,28,32)/t17-,22+,26?,27?/m0/s1
• InChIKey: JPWNVJDRNFWNDU-QZILFWJLSA-N
• XLogP: 3.72
• TPSA: 96.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?

The IUPAC name of 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide (CID 167136925) is 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide.

What is the SMILES notation for 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?

The canonical SMILES for 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is COCC12CC(n3cc4cc(C(=O)Nc5cccn([C@@H]6C[C@@H]6C)c5=O)c(OC(C)C)cc4n3)(CO1)C2.

What is the InChIKey of 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?

The InChIKey is JPWNVJDRNFWNDU-QZILFWJLSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-16(2)36-23-10-21-18(11-31(29-21)26-12-27(13-26,15-34-4)35-14-26)9-19(23)24(32)28-20-6-5-7-30(25(20)33)22-8-17(22)3/h5-7,9-11,16-17,22H,8,12-15H2,1-4H3,(H,28,32)/t17-,22+,26?,27?/m0/s1.

What are the key properties of 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide?

2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 167136925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).