[4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C29H31N7O3 — CID 58885835

IUPAC[4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1nc(-c2ccccn2)no1
InChIInChI=1S/C29H31N7O3/c30-27-25(38-19-26-33-28(34-39-26)24-5-1-2-12-31-24)17-22(18-32-27)20-6-8-21(9-7-20)29(37)36-15-10-23(11-16-36)35-13-3-4-14-35/h1-2,5-9,12,17-18,23H,3-4,10-11,13-16,19H2,(H2,30,32)
InChIKeyRSYGAVABTCNPKQ-UHFFFAOYSA-N
MW525.61 g/mol
LogP4.06
Rot. Bonds7

About [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 58885835) has the molecular formula C29H31N7O3 and a molecular weight of 525.61 g/mol. Its IUPAC name is [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID58885835
Molecular FormulaC29H31N7O3
Molecular Weight525.61 g/mol
Exact Mass525.25
IUPAC Name[4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1nc(-c2ccccn2)no1
InChIInChI=1S/C29H31N7O3/c30-27-25(38-19-26-33-28(34-39-26)24-5-1-2-12-31-24)17-22(18-32-27)20-6-8-21(9-7-20)29(37)36-15-10-23(11-16-36)35-13-3-4-14-35/h1-2,5-9,12,17-18,23H,3-4,10-11,13-16,19H2,(H2,30,32)
InChIKeyRSYGAVABTCNPKQ-UHFFFAOYSA-N
XLogP4.06
TPSA123.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[[4-methyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
CID 127036425
4-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-2-pyridinyl]-2-fluoro-N-methoxy-N-methylbenzamide
CID 137643726
4-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-2-pyridinyl]-N-methoxy-N-methylbenzamide
CID 137655380
N-ethyl-5-[2-methyl-8-[(4-phenylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]pyridine-2-carboxamide;hydrochloride
CID 145712395
(2Z)-2-[[4-[4-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155554382
[4-(6-amino-5-benzyloxy-pyridin-3-yl)-phenyl]-[(2R)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl]-methanone
CID 54576161
1-[(2R)-2-[5-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68686181
N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide
CID 68686555
1-[(2R)-2-[3-[2-(morpholine-4-carbonyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689142
1-[(2R)-2-[5-(2-amino-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689641
1-[(2R)-2-[5-(1,8-naphthyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68690062
5-(4-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)phenyl)-1,2,4-oxadiazole
CID 76282542

Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 58885835) is [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Nc1ncc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cc1OCc1nc(-c2ccccn2)no1.
What is the InChIKey of [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is RSYGAVABTCNPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O3/c30-27-25(38-19-26-33-28(34-39-26)24-5-1-2-12-31-24)17-22(18-32-27)20-6-8-21(9-7-20)29(37)36-15-10-23(11-16-36)35-13-3-4-14-35/h1-2,5-9,12,17-18,23H,3-4,10-11,13-16,19H2,(H2,30,32).
What are the key properties of [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 525.61 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-3-pyridinyl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 58885835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).