10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione

C18H18FN5O2 — CID 139810550

IUPAC10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione
SMILESO=c1[nH]ccc2c1c(=O)c1cc(F)c(N3CCNCC3)nc1n2C1CC1
InChIInChI=1S/C18H18FN5O2/c19-12-9-11-15(25)14-13(3-4-21-18(14)26)24(10-1-2-10)16(11)22-17(12)23-7-5-20-6-8-23/h3-4,9-10,20H,1-2,5-8H2,(H,21,26)
InChIKeyVCKXFXKHJCCFTD-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.12
Rot. Bonds2

About 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione

10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione (PubChem CID 139810550) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione.

Molecular Properties

Compound Name10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione
PubChem CID139810550
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione
SMILESO=c1[nH]ccc2c1c(=O)c1cc(F)c(N3CCNCC3)nc1n2C1CC1
InChIInChI=1S/C18H18FN5O2/c19-12-9-11-15(25)14-13(3-4-21-18(14)26)24(10-1-2-10)16(11)22-17(12)23-7-5-20-6-8-23/h3-4,9-10,20H,1-2,5-8H2,(H,21,26)
InChIKeyVCKXFXKHJCCFTD-UHFFFAOYSA-N
XLogP1.12
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione with MolForge

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Launch Full Analysis

Related Compounds

9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294348
7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294379
6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 14041766
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
6-fluoro-4-oxo-7-piperazin-1-yl-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134359952
9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 21294353
1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one
CID 150606294
6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 10667921
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 59074242
1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 22632976
ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 14664850
6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70480613

Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione?
The IUPAC name of 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione (CID 139810550) is 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione.
What is the SMILES notation for 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione?
The canonical SMILES for 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione is O=c1[nH]ccc2c1c(=O)c1cc(F)c(N3CCNCC3)nc1n2C1CC1.
What is the InChIKey of 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione?
The InChIKey is VCKXFXKHJCCFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-12-9-11-15(25)14-13(3-4-21-18(14)26)24(10-1-2-10)16(11)22-17(12)23-7-5-20-6-8-23/h3-4,9-10,20H,1-2,5-8H2,(H,21,26).
What are the key properties of 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione?
10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione has a molecular weight of 355.37 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione is sourced from PubChem (CID 139810550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).