N-[1-[(1S,2S)-2-ethylcyclopropyl]-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

C26H31N5O4 — CID 164555109

IUPACN-[1-[(1S,2S)-2-ethylcyclopropyl]-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
SMILESCC[C@H]1C[C@@H]1n1cccc(NC(=O)c2cn3cc(C45COC(C)(C4)C5)nc3nc2OC(C)C)c1=O
InChIInChI=1S/C26H31N5O4/c1-5-16-9-19(16)31-8-6-7-18(23(31)33)27-21(32)17-10-30-11-20(26-12-25(4,13-26)34-14-26)28-24(30)29-22(17)35-15(2)3/h6-8,10-11,15-16,19H,5,9,12-14H2,1-4H3,(H,27,32)/t16-,19-,25?,26?/m0/s1
InChIKeyGFJYOAVHYDVILK-CBPKUJINSA-N
MW477.57 g/mol
LogP3.72
Rot. Bonds7

About N-[1-[(1S,2S)-2-ethylcyclopropyl]-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-ethylcyclopropyl]-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 164555109) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[1-[(1S,2S)-2-ethylcyclopropyl]-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 NameN-[1-[(1S,2S)-2-ethylcyclopropyl]-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 CID164555109
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC NameN-[1-[(1S,2S)-2-ethylcyclopropyl]-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
SMILESCC[C@H]1C[C@@H]1n1cccc(NC(=O)c2cn3cc(C45COC(C)(C4)C5)nc3nc2OC(C)C)c1=O
InChIInChI=1S/C26H31N5O4/c1-5-16-9-19(16)31-8-6-7-18(23(31)33)27-21(32)17-10-30-11-20(26-12-25(4,13-26)34-14-26)28-24(30)29-22(17)35-15(2)3/h6-8,10-11,15-16,19H,5,9,12-14H2,1-4H3,(H,27,32)/t16-,19-,25?,26?/m0/s1
InChIKeyGFJYOAVHYDVILK-CBPKUJINSA-N
XLogP3.72
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(1S,2S)-2-ethylcyclopropyl]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,2S)-2-ethylcyclopropyl]-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-ethylcyclopropyl]-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 164555109) is N-[1-[(1S,2S)-2-ethylcyclopropyl]-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-ethylcyclopropyl]-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-ethylcyclopropyl]-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 CC[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-ethylcyclopropyl]-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 GFJYOAVHYDVILK-CBPKUJINSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-5-16-9-19(16)31-8-6-7-18(23(31)33)27-21(32)17-10-30-11-20(26-12-25(4,13-26)34-14-26)28-24(30)29-22(17)35-15(2)3/h6-8,10-11,15-16,19H,5,9,12-14H2,1-4H3,(H,27,32)/t16-,19-,25?,26?/m0/s1.
What are the key properties of N-[1-[(1S,2S)-2-ethylcyclopropyl]-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-ethylcyclopropyl]-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 477.57 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,2S)-2-ethylcyclopropyl]-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 164555109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).