3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one

C18H19FN6O — CID 146112526

IUPAC3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(C2C(C3CC3)CCN2c2ccnc3cc(F)cnc23)n[nH]c1=O
InChIInChI=1S/C18H19FN6O/c1-24-17(22-23-18(24)26)16-12(10-2-3-10)5-7-25(16)14-4-6-20-13-8-11(19)9-21-15(13)14/h4,6,8-10,12,16H,2-3,5,7H2,1H3,(H,23,26)
InChIKeyFUGSEDHVQBFVCA-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.17
Rot. Bonds3

About 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one

3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 146112526) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID146112526
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(C2C(C3CC3)CCN2c2ccnc3cc(F)cnc23)n[nH]c1=O
InChIInChI=1S/C18H19FN6O/c1-24-17(22-23-18(24)26)16-12(10-2-3-10)5-7-25(16)14-4-6-20-13-8-11(19)9-21-15(13)14/h4,6,8-10,12,16H,2-3,5,7H2,1H3,(H,23,26)
InChIKeyFUGSEDHVQBFVCA-UHFFFAOYSA-N
XLogP2.17
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one (CID 146112526) is 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one is Cn1c(C2C(C3CC3)CCN2c2ccnc3cc(F)cnc23)n[nH]c1=O.
What is the InChIKey of 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is FUGSEDHVQBFVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-24-17(22-23-18(24)26)16-12(10-2-3-10)5-7-25(16)14-4-6-20-13-8-11(19)9-21-15(13)14/h4,6,8-10,12,16H,2-3,5,7H2,1H3,(H,23,26).
What are the key properties of 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one?
3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 354.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopropyl-1-(7-fluoro-1,5-naphthyridin-4-yl)pyrrolidin-2-yl]-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 146112526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).