7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide

C24H28FN7O2 — CID 122669745

IUPAC7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(OCCCCCCC(N)=O)cc(F)n1
InChIInChI=1S/C24H28FN7O2/c1-16-18-15-29-24(23-27-9-6-10-28-23)30-19(18)8-11-32(16)22-14-17(13-20(25)31-22)34-12-5-3-2-4-7-21(26)33/h6,9-10,13-16H,2-5,7-8,11-12H2,1H3,(H2,26,33)
InChIKeyMDZISWYGRNXEOA-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.41
Rot. Bonds10

About 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide

7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide (PubChem CID 122669745) has the molecular formula C24H28FN7O2 and a molecular weight of 465.53 g/mol. Its IUPAC name is 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide.

Molecular Properties

Compound Name7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide
PubChem CID122669745
Molecular FormulaC24H28FN7O2
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC Name7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(OCCCCCCC(N)=O)cc(F)n1
InChIInChI=1S/C24H28FN7O2/c1-16-18-15-29-24(23-27-9-6-10-28-23)30-19(18)8-11-32(16)22-14-17(13-20(25)31-22)34-12-5-3-2-4-7-21(26)33/h6,9-10,13-16H,2-5,7-8,11-12H2,1H3,(H2,26,33)
InChIKeyMDZISWYGRNXEOA-UHFFFAOYSA-N
XLogP3.41
TPSA120.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(5S)-6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122681023
[1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]azetidin-3-yl]methanol
CID 139367488
1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 139367543
6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324
2-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 139367430
1-[3-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]amino]azetidin-1-yl]ethanone
CID 139367473
2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 145427351
6-[6-fluoro-4-(4-methylsulfanylpiperazin-1-yl)-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 146519308
1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 139367423
1-[1-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]azetidin-3-yl]-2-methylsulfonylethanone
CID 159094999
tert-butyl-[6-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]hexyl]carbamic acid
CID 138683279
6-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 122669681

Frequently Asked Questions

What is the IUPAC name of 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide?
The IUPAC name of 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide (CID 122669745) is 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide.
What is the SMILES notation for 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide?
The canonical SMILES for 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(OCCCCCCC(N)=O)cc(F)n1.
What is the InChIKey of 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide?
The InChIKey is MDZISWYGRNXEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2/c1-16-18-15-29-24(23-27-9-6-10-28-23)30-19(18)8-11-32(16)22-14-17(13-20(25)31-22)34-12-5-3-2-4-7-21(26)33/h6,9-10,13-16H,2-5,7-8,11-12H2,1H3,(H2,26,33).
What are the key properties of 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide?
7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide has a molecular weight of 465.53 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]oxy]heptanamide is sourced from PubChem (CID 122669745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).