N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide

C22H23N5O3 — CID 162626733

IUPACN-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cn3cccnc3n1)C[C@@H]2O
InChIInChI=1S/C22H23N5O3/c1-14(28)24-10-16-19(15-6-3-2-4-7-15)22(16)13-27(12-18(22)29)20(30)17-11-26-9-5-8-23-21(26)25-17/h2-9,11,16,18-19,29H,10,12-13H2,1H3,(H,24,28)/t16-,18+,19-,22-/m1/s1
InChIKeyLAJJOMJYQZPCBB-ITBLURSFSA-N
MW405.46 g/mol
LogP1.08
Rot. Bonds4

About N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide

N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide (PubChem CID 162626733) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
PubChem CID162626733
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cn3cccnc3n1)C[C@@H]2O
InChIInChI=1S/C22H23N5O3/c1-14(28)24-10-16-19(15-6-3-2-4-7-15)22(16)13-27(12-18(22)29)20(30)17-11-26-9-5-8-23-21(26)25-17/h2-9,11,16,18-19,29H,10,12-13H2,1H3,(H,24,28)/t16-,18+,19-,22-/m1/s1
InChIKeyLAJJOMJYQZPCBB-ITBLURSFSA-N
XLogP1.08
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide with MolForge

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Related Compounds

[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyrazin-2-ylmethanone
CID 155493428
[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyridin-4-ylmethanone
CID 155503199
N-[[(1R,2S,3R,4S)-6-(5-fluoropyridine-3-carbonyl)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]propanamide
CID 162626717
N-[(4R,5S)-5-hydroxy-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 135087354
N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 162631251
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
N-[[(1R,2S,3R,4R)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-2-pyrazol-1-ylacetamide
CID 157018408
(2'S,3R)-1'-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619524
2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92633913
[(1R,2S,3R,4S)-4-hydroxy-1-(morpholin-4-ylmethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 157018690
acetic acid;(1S,5R)-7-(imidazo[1,2-a]pyrimidine-2-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155972209
4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide
CID 110246602

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide?
The IUPAC name of N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide (CID 162626733) is N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide?
The canonical SMILES for N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide is CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(C(=O)c1cn3cccnc3n1)C[C@@H]2O.
What is the InChIKey of N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide?
The InChIKey is LAJJOMJYQZPCBB-ITBLURSFSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14(28)24-10-16-19(15-6-3-2-4-7-15)22(16)13-27(12-18(22)29)20(30)17-11-26-9-5-8-23-21(26)25-17/h2-9,11,16,18-19,29H,10,12-13H2,1H3,(H,24,28)/t16-,18+,19-,22-/m1/s1.
What are the key properties of N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide?
N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide has a molecular weight of 405.46 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,3R,4R)-4-hydroxy-6-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide is sourced from PubChem (CID 162626733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).