N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide

C24H23FN6O2 — CID 171796858

IUPACN-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3C[C@@H]3F)n2)cc1NC(=O)c1cnc2cc(N3CCCC3)ccn12
InChIInChI=1S/C24H23FN6O2/c1-14-4-5-15(22-28-24(33-29-22)17-12-18(17)25)10-19(14)27-23(32)20-13-26-21-11-16(6-9-31(20)21)30-7-2-3-8-30/h4-6,9-11,13,17-18H,2-3,7-8,12H2,1H3,(H,27,32)/t17?,18-/m0/s1
InChIKeyZKQNHVCIUBTWDZ-ZVAWYAOSSA-N
MW446.49 g/mol
LogP4.37
Rot. Bonds5

About N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796858) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID171796858
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC NameN-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3C[C@@H]3F)n2)cc1NC(=O)c1cnc2cc(N3CCCC3)ccn12
InChIInChI=1S/C24H23FN6O2/c1-14-4-5-15(22-28-24(33-29-22)17-12-18(17)25)10-19(14)27-23(32)20-13-26-21-11-16(6-9-31(20)21)30-7-2-3-8-30/h4-6,9-11,13,17-18H,2-3,7-8,12H2,1H3,(H,27,32)/t17?,18-/m0/s1
InChIKeyZKQNHVCIUBTWDZ-ZVAWYAOSSA-N
XLogP4.37
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(4-piperidin-1-ylanilino)imidazo[1,2-a]pyridine-3-carboxamide
CID 171796465
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796957
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 175682277
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
3-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide
CID 174294984
6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 174292770
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-5-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide
CID 171796633
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-7-[(2R)-2-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 178051365
(7R,8S)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7,8-dihydroxy-7,8-dihydroimidazo[1,2-a]pyridine-3-carboxamide
CID 178051580
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[3-fluoro-5-[5-[(1R,2R)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 169268508
N-[5-[5-[(2S)-2-cyanocyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796825

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 171796858) is N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3C[C@@H]3F)n2)cc1NC(=O)c1cnc2cc(N3CCCC3)ccn12.
What is the InChIKey of N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZKQNHVCIUBTWDZ-ZVAWYAOSSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-14-4-5-15(22-28-24(33-29-22)17-12-18(17)25)10-19(14)27-23(32)20-13-26-21-11-16(6-9-31(20)21)30-7-2-3-8-30/h4-6,9-11,13,17-18H,2-3,7-8,12H2,1H3,(H,27,32)/t17?,18-/m0/s1.
What are the key properties of N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).