7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine

C13H13ClFN5 — CID 154644092

IUPAC7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(N3CC4(CCNC4)C3)ncnc12
InChIInChI=1S/C13H13ClFN5/c14-11-9(15)10-8(3-17-11)12(19-7-18-10)20-5-13(6-20)1-2-16-4-13/h3,7,16H,1-2,4-6H2
InChIKeyBKVFXUAPZYSMHF-UHFFFAOYSA-N
MW293.73 g/mol
LogP1.62
Rot. Bonds1

About 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine

7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine (PubChem CID 154644092) has the molecular formula C13H13ClFN5 and a molecular weight of 293.73 g/mol. Its IUPAC name is 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine
PubChem CID154644092
Molecular FormulaC13H13ClFN5
Molecular Weight293.73 g/mol
Exact Mass293.08
IUPAC Name7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(N3CC4(CCNC4)C3)ncnc12
InChIInChI=1S/C13H13ClFN5/c14-11-9(15)10-8(3-17-11)12(19-7-18-10)20-5-13(6-20)1-2-16-4-13/h3,7,16H,1-2,4-6H2
InChIKeyBKVFXUAPZYSMHF-UHFFFAOYSA-N
XLogP1.62
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,7-Trichloro-8-fluoropyrido(4,3-d)pyrimidine
CID 154644243
5-Chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
CID 45106185
8-Fluoropyrido[4,3-d]pyrimidin-4-amine
CID 131699662
4-Chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine
CID 135394745
4,7-Dichloro-2-(difluoromethyl)-8-fluoropyrido[4,3-D]pyrimidine
CID 154643904
2,7-Dichloro-8-fluoro-4-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidine
CID 154643976
4,7-Dichloro-8-fluoropyrido[4,3-D]pyrimidine
CID 154644084
2-[(2S)-4-(7-chloro-8-fluoro-2-methylsulfanylpyrido[4,3-d]pyrimidin-4-yl)piperazin-2-yl]acetonitrile
CID 154644314
4,7-Dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-D]pyrimidine
CID 154644376
4,7-Dichloro-8-fluoro-2-methylpyrido[4,3-D]pyrimidine
CID 154644407
4-Chloro-8-fluoro-2,7-dimethylpyrido[4,3-d]pyrimidine
CID 154990626
2,7-Dichloro-8-fluoro-4-piperazin-1-ylpyrido[4,3-d]pyrimidine
CID 154990721

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine (CID 154644092) is 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine is Fc1c(Cl)ncc2c(N3CC4(CCNC4)C3)ncnc12.
What is the InChIKey of 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine?
The InChIKey is BKVFXUAPZYSMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5/c14-11-9(15)10-8(3-17-11)12(19-7-18-10)20-5-13(6-20)1-2-16-4-13/h3,7,16H,1-2,4-6H2.
What are the key properties of 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine?
7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine has a molecular weight of 293.73 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2,7-diazaspiro[3.4]octan-2-yl)-8-fluoropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154644092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).