4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine

C18H15F2N3 — CID 167982201

IUPAC4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine
SMILESFc1ccc(C2CCN(c3ccnc4cnccc34)C2)cc1F
InChIInChI=1S/C18H15F2N3/c19-15-2-1-12(9-16(15)20)13-5-8-23(11-13)18-4-7-22-17-10-21-6-3-14(17)18/h1-4,6-7,9-10,13H,5,8,11H2
InChIKeyOCEZAGULKZOUOZ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.90
Rot. Bonds2

About 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine

4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine (PubChem CID 167982201) has the molecular formula C18H15F2N3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine.

Molecular Properties

Compound Name4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine
PubChem CID167982201
Molecular FormulaC18H15F2N3
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine
SMILESFc1ccc(C2CCN(c3ccnc4cnccc34)C2)cc1F
InChIInChI=1S/C18H15F2N3/c19-15-2-1-12(9-16(15)20)13-5-8-23(11-13)18-4-7-22-17-10-21-6-3-14(17)18/h1-4,6-7,9-10,13H,5,8,11H2
InChIKeyOCEZAGULKZOUOZ-UHFFFAOYSA-N
XLogP3.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline
CID 56840760
3-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)pyridine
CID 72854783
3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129347317
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
3-fluoro-4-[(3R)-3-(4-methoxyphenyl)piperidin-1-yl]pyridine
CID 139475888
1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole
CID 91430060
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
N-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]pyrido[3,4-d]pyrimidin-4-amine
CID 166605522
4-[3-(3,4,5-trifluorophenyl)pyrrolidin-1-yl]-1H-imidazo[4,5-c]pyridine
CID 167827669
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 155498947

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine?
The IUPAC name of 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine (CID 167982201) is 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine.
What is the SMILES notation for 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine?
The canonical SMILES for 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine is Fc1ccc(C2CCN(c3ccnc4cnccc34)C2)cc1F.
What is the InChIKey of 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine?
The InChIKey is OCEZAGULKZOUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3/c19-15-2-1-12(9-16(15)20)13-5-8-23(11-13)18-4-7-22-17-10-21-6-3-14(17)18/h1-4,6-7,9-10,13H,5,8,11H2.
What are the key properties of 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine?
4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine has a molecular weight of 311.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-1,7-naphthyridine is sourced from PubChem (CID 167982201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).