6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H15ClFN5 — CID 24914794

IUPAC6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ncc(Cl)cc1CN1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C18H15ClFN5/c19-15-7-13(17(20)22-9-15)10-25-6-3-16-14(11-25)8-23-18(24-16)12-1-4-21-5-2-12/h1-2,4-5,7-9H,3,6,10-11H2
InChIKeyGRDHMKUQSUTHHO-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.28
Rot. Bonds3

About 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914794) has the molecular formula C18H15ClFN5 and a molecular weight of 355.80 g/mol. Its IUPAC name is 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914794
Molecular FormulaC18H15ClFN5
Molecular Weight355.80 g/mol
Exact Mass355.10
IUPAC Name6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ncc(Cl)cc1CN1CCc2nc(-c3ccncc3)ncc2C1
InChIInChI=1S/C18H15ClFN5/c19-15-7-13(17(20)22-9-15)10-25-6-3-16-14(11-25)8-23-18(24-16)12-1-4-21-5-2-12/h1-2,4-5,7-9H,3,6,10-11H2
InChIKeyGRDHMKUQSUTHHO-UHFFFAOYSA-N
XLogP3.28
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

SD-208
CID 10316032
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
2-(3,5-Dichlorophenyl)-7-methylpyrido[2,3-d]pyrimidine
CID 44435034
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
4-Chloro-2-(pyridin-2-yl)quinazoline
CID 930716
5-chloro-N,6-dimethyl-N-phenethyl-2-(pyridin-2-yl)pyrimidin-4-amine
CID 12004233
5-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(pyridin-2-yl)pyrimidine
CID 1483821
N-[5-Chloro-6-Methyl-2-(2-Pyridinyl)-4-Pyrimidinyl]-N'-[4-(Trifluoromethyl)-2-Pyridinyl]-1,2-Ethanediamine
CID 2725964
2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
CID 3232645
2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 9880709
N-(3-chlorophenyl)-N-[(7,8-difluoroisoquinolin-4-yl)methyl]pyrimidin-2-amine
CID 25050248

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914794) is 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ncc(Cl)cc1CN1CCc2nc(-c3ccncc3)ncc2C1.
What is the InChIKey of 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is GRDHMKUQSUTHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5/c19-15-7-13(17(20)22-9-15)10-25-6-3-16-14(11-25)8-23-18(24-16)12-1-4-21-5-2-12/h1-2,4-5,7-9H,3,6,10-11H2.
What are the key properties of 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 355.80 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).