N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C25H29N5O5 — CID 164554820

About N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 164554820) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 164554820
• Molecular Formula: C25H29N5O5
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.22
• IUPAC Name: N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
• SMILES: CO[C@H]1C[C@@H]1n1cccc(NC(=O)c2cn3cc(C45COC(C)(C4)C5)nc3nc2OC(C)C)c1=O
• InChI: InChI=1S/C25H29N5O5/c1-14(2)35-21-15(20(31)26-16-6-5-7-30(22(16)32)17-8-18(17)33-4)9-29-10-19(27-23(29)28-21)25-11-24(3,12-25)34-13-25/h5-7,9-10,14,17-18H,8,11-13H2,1-4H3,(H,26,31)/t17-,18-,24?,25?/m0/s1
• InChIKey: PPGZBZKYVPBYKX-RIZNVZOMSA-N
• XLogP: 2.71
• TPSA: 108.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 164554820) is N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is CO[C@H]1C[C@@H]1n1cccc(NC(=O)c2cn3cc(C45COC(C)(C4)C5)nc3nc2OC(C)C)c1=O.

What is the InChIKey of N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

The InChIKey is PPGZBZKYVPBYKX-RIZNVZOMSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-14(2)35-21-15(20(31)26-16-6-5-7-30(22(16)32)17-8-18(17)33-4)9-29-10-19(27-23(29)28-21)25-11-24(3,12-25)34-13-25/h5-7,9-10,14,17-18H,8,11-13H2,1-4H3,(H,26,31)/t17-,18-,24?,25?/m0/s1.

What are the key properties of N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 164554820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).