(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

C20H18FN5O4 — CID 178051580

IUPAC(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
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc2n1C=C[C@@H](O)[C@H]2O
InChIInChI=1S/C20H18FN5O4/c1-9-2-3-10(17-24-20(30-25-17)11-7-12(11)21)6-13(9)23-19(29)14-8-22-18-16(28)15(27)4-5-26(14)18/h2-6,8,11-12,15-16,27-28H,7H2,1H3,(H,23,29)/t11-,12-,15+,16+/m0/s1
InChIKeyNQWHNBXDCIPAEP-YXAMBPQSSA-N
MW411.39 g/mol
LogP2.20
Rot. Bonds4

About (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

(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 (PubChem CID 178051580) has the molecular formula C20H18FN5O4 and a molecular weight of 411.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID178051580
Molecular FormulaC20H18FN5O4
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name(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
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc2n1C=C[C@@H](O)[C@H]2O
InChIInChI=1S/C20H18FN5O4/c1-9-2-3-10(17-24-20(30-25-17)11-7-12(11)21)6-13(9)23-19(29)14-8-22-18-16(28)15(27)4-5-26(14)18/h2-6,8,11-12,15-16,27-28H,7H2,1H3,(H,23,29)/t11-,12-,15+,16+/m0/s1
InChIKeyNQWHNBXDCIPAEP-YXAMBPQSSA-N
XLogP2.20
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 175682277
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-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 171796858
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-[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
5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide
CID 175682364
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide
CID 175682363
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]-1-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 175682313
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-pyridin-4-yl-1,3-oxazole-5-carboxamide
CID 175682543
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 175682337

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc2n1C=C[C@@H](O)[C@H]2O.
What is the InChIKey of (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?
The InChIKey is NQWHNBXDCIPAEP-YXAMBPQSSA-N. The full InChI is InChI=1S/C20H18FN5O4/c1-9-2-3-10(17-24-20(30-25-17)11-7-12(11)21)6-13(9)23-19(29)14-8-22-18-16(28)15(27)4-5-26(14)18/h2-6,8,11-12,15-16,27-28H,7H2,1H3,(H,23,29)/t11-,12-,15+,16+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 411.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 178051580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).