N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C20H16FN5O2 — CID 178051789

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C20H16FN5O2/c1-10-4-5-11(17-25-20(28-26-17)13-8-15(13)21)7-16(10)24-19(27)14-9-23-18-12(14)3-2-6-22-18/h2-7,9,13,15H,8H2,1H3,(H,22,23)(H,24,27)/t13-,15-/m0/s1
InChIKeyNCVDUPABCPBQNE-ZFWWWQNUSA-N
MW377.38 g/mol
LogP4.00
Rot. Bonds4

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 178051789) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID178051789
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C20H16FN5O2/c1-10-4-5-11(17-25-20(28-26-17)13-8-15(13)21)7-16(10)24-19(27)14-9-23-18-12(14)3-2-6-22-18/h2-7,9,13,15H,8H2,1H3,(H,22,23)(H,24,27)/t13-,15-/m0/s1
InChIKeyNCVDUPABCPBQNE-ZFWWWQNUSA-N
XLogP4.00
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 178051906
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-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 175682337
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
5-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171796616
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyquinazoline-4-carboxamide
CID 178051533
2-(2-aminopyrimidin-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
CID 175682830
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indazol-5-yl)-1,3-oxazole-5-carboxamide
CID 175682549
5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175682353
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
(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
2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
CID 175682790

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 178051789) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is NCVDUPABCPBQNE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-10-4-5-11(17-25-20(28-26-17)13-8-15(13)21)7-16(10)24-19(27)14-9-23-18-12(14)3-2-6-22-18/h2-7,9,13,15H,8H2,1H3,(H,22,23)(H,24,27)/t13-,15-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 178051789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).