N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide

C25H27N7O3 — CID 178051194

IUPACN-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2noc([C@@H]3CC4(CC4)CN3)n2)cc1NC(=O)c1cnc2cc(OC(C)C)ncn12
InChIInChI=1S/C25H27N7O3/c1-14(2)34-21-9-20-26-11-19(32(20)13-28-21)23(33)29-17-8-16(5-4-15(17)3)22-30-24(35-31-22)18-10-25(6-7-25)12-27-18/h4-5,8-9,11,13-14,18,27H,6-7,10,12H2,1-3H3,(H,29,33)/t18-/m0/s1
InChIKeyYFGSNDCYZOAEHQ-SFHVURJKSA-N
MW473.54 g/mol
LogP3.94
Rot. Bonds6

About N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide

N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 178051194) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide
PubChem CID178051194
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2noc([C@@H]3CC4(CC4)CN3)n2)cc1NC(=O)c1cnc2cc(OC(C)C)ncn12
InChIInChI=1S/C25H27N7O3/c1-14(2)34-21-9-20-26-11-19(32(20)13-28-21)23(33)29-17-8-16(5-4-15(17)3)22-30-24(35-31-22)18-10-25(6-7-25)12-27-18/h4-5,8-9,11,13-14,18,27H,6-7,10,12H2,1-3H3,(H,29,33)/t18-/m0/s1
InChIKeyYFGSNDCYZOAEHQ-SFHVURJKSA-N
XLogP3.94
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796698
N-[2-methyl-5-(5-spiro[3.3]heptan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796609
N-[2-methyl-5-[5-[(2R)-4-oxopyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796718
7-(methoxymethyl)-N-[2-methyl-5-[5-[(2S,4S)-4-methylazetidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178051710
N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 178051656
N-[5-[5-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
CID 71280380
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane
CID 169268620
N-[3-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-7-(1,1-difluoroethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178051847
N-[5-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-cyanoimidazo[1,2-a]pyridine-3-carboxamide
CID 123942811
methyl 3-[3-[4-methyl-3-[[7-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 71280918

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide (CID 178051194) is N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide is Cc1ccc(-c2noc([C@@H]3CC4(CC4)CN3)n2)cc1NC(=O)c1cnc2cc(OC(C)C)ncn12.
What is the InChIKey of N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide?
The InChIKey is YFGSNDCYZOAEHQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-14(2)34-21-9-20-26-11-19(32(20)13-28-21)23(33)29-17-8-16(5-4-15(17)3)22-30-24(35-31-22)18-10-25(6-7-25)12-27-18/h4-5,8-9,11,13-14,18,27H,6-7,10,12H2,1-3H3,(H,29,33)/t18-/m0/s1.
What are the key properties of N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide?
N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-propan-2-yloxyimidazo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 178051194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).