N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide

C21H28N4O4 — CID 165427502

IUPACN-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
SMILESCCC(=O)N[C@]1(C)CC2(CCN(C(=O)c3ccc4nccn4c3)CC2)OC[C@H]1O
InChIInChI=1S/C21H28N4O4/c1-3-18(27)23-20(2)14-21(29-13-16(20)26)6-9-24(10-7-21)19(28)15-4-5-17-22-8-11-25(17)12-15/h4-5,8,11-12,16,26H,3,6-7,9-10,13-14H2,1-2H3,(H,23,27)/t16-,20-/m1/s1
InChIKeyBVKWUSMCOSVMOC-OXQOHEQNSA-N
MW400.48 g/mol
LogP1.38
Rot. Bonds3

About N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide

N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide (PubChem CID 165427502) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
PubChem CID165427502
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
SMILESCCC(=O)N[C@]1(C)CC2(CCN(C(=O)c3ccc4nccn4c3)CC2)OC[C@H]1O
InChIInChI=1S/C21H28N4O4/c1-3-18(27)23-20(2)14-21(29-13-16(20)26)6-9-24(10-7-21)19(28)15-4-5-17-22-8-11-25(17)12-15/h4-5,8,11-12,16,26H,3,6-7,9-10,13-14H2,1-2H3,(H,23,27)/t16-,20-/m1/s1
InChIKeyBVKWUSMCOSVMOC-OXQOHEQNSA-N
XLogP1.38
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-imidazo[1,2-a]pyridin-6-ylmethanone
CID 164690307
N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
CID 166614505
(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129397514
2-ethoxy-N-[(3R,4S)-3-hydroxy-4-methyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 137337369
N-[(3R,4S)-3-hydroxy-4-methyl-9-propanoyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
CID 135088449
[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 163305437
azepan-1-yl(imidazo[1,2-a]pyridin-6-yl)methanone
CID 110704027
N-[(3R,4S)-3-hydroxy-4-methyl-9-[2-(methylamino)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-pyridin-4-ylpropanamide
CID 135095062
N-[(3R,4S)-3-hydroxy-4-methyl-9-(5-methyl-2H-triazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methylsulfanylacetamide
CID 137338248
imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone
CID 122152246
[4-(cyclopropylmethylamino)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119622933
imidazo[1,2-a]pyridin-6-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612790

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide?
The IUPAC name of N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide (CID 165427502) is N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide is CCC(=O)N[C@]1(C)CC2(CCN(C(=O)c3ccc4nccn4c3)CC2)OC[C@H]1O.
What is the InChIKey of N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide?
The InChIKey is BVKWUSMCOSVMOC-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-3-18(27)23-20(2)14-21(29-13-16(20)26)6-9-24(10-7-21)19(28)15-4-5-17-22-8-11-25(17)12-15/h4-5,8,11-12,16,26H,3,6-7,9-10,13-14H2,1-2H3,(H,23,27)/t16-,20-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide?
N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide has a molecular weight of 400.48 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxy-9-(imidazo[1,2-a]pyridine-6-carbonyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide is sourced from PubChem (CID 165427502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).