3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C17H17N5O — CID 129347317

IUPAC3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1cc2nccc(N3CC[C@H](c4nc(C5CC5)no4)C3)c2cn1
InChIInChI=1S/C17H17N5O/c1-2-11(1)16-20-17(23-21-16)12-5-8-22(10-12)15-4-7-19-14-3-6-18-9-13(14)15/h3-4,6-7,9,11-12H,1-2,5,8,10H2/t12-/m0/s1
InChIKeyFSMODSNOACMBKW-LBPRGKRZSA-N
MW307.36 g/mol
LogP2.88
Rot. Bonds3

About 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 129347317) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID129347317
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1cc2nccc(N3CC[C@H](c4nc(C5CC5)no4)C3)c2cn1
InChIInChI=1S/C17H17N5O/c1-2-11(1)16-20-17(23-21-16)12-5-8-22(10-12)15-4-7-19-14-3-6-18-9-13(14)15/h3-4,6-7,9,11-12H,1-2,5,8,10H2/t12-/m0/s1
InChIKeyFSMODSNOACMBKW-LBPRGKRZSA-N
XLogP2.88
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 133475123
4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine
CID 167982201
5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133475245
3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 133475838
N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 166306629
5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128558614
2-[methyl-[[(2R)-4-(1,6-naphthyridin-4-yl)morpholin-2-yl]methyl]amino]acetamide
CID 124875126
3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128979629
5-cyclopropyl-3-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 133474973
5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133474987
4-(1,6-naphthyridin-4-yl)-1,4-thiazepane
CID 166233200
3-pyridin-3-yl-5-[(3R)-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92576526

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 129347317) is 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole is c1cc2nccc(N3CC[C@H](c4nc(C5CC5)no4)C3)c2cn1.
What is the InChIKey of 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is FSMODSNOACMBKW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-11(1)16-20-17(23-21-16)12-5-8-22(10-12)15-4-7-19-14-3-6-18-9-13(14)15/h3-4,6-7,9,11-12H,1-2,5,8,10H2/t12-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 307.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129347317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).