[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

C21H22FN7O — CID 139367488

IUPAC[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
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CC(CO)C2)cc(F)n1
InChIInChI=1S/C21H22FN7O/c1-13-16-9-25-21(20-23-4-2-5-24-20)26-17(16)3-6-29(13)19-8-15(7-18(22)27-19)28-10-14(11-28)12-30/h2,4-5,7-9,13-14,30H,3,6,10-12H2,1H3
InChIKeyAMYKHKXEICWCGP-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.02
Rot. Bonds4

About [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

[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 (PubChem CID 139367488) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID139367488
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name[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
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CC(CO)C2)cc(F)n1
InChIInChI=1S/C21H22FN7O/c1-13-16-9-25-21(20-23-4-2-5-24-20)26-17(16)3-6-29(13)19-8-15(7-18(22)27-19)28-10-14(11-28)12-30/h2,4-5,7-9,13-14,30H,3,6,10-12H2,1H3
InChIKeyAMYKHKXEICWCGP-UHFFFAOYSA-N
XLogP2.02
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [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 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

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
6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324
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
2-ethyl-4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;2-ethyl-4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
CID 159808794
(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
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
6-[4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-fluoro-2-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381339
4-acetyl-1-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]piperazin-2-one
CID 139367507
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
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
6-[6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139367435
4-[2-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-pyridinyl]morpholine;4-[4-fluoro-6-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]morpholine
CID 158775920

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CC(CO)C2)cc(F)n1.
What is the InChIKey of [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?
The InChIKey is AMYKHKXEICWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-13-16-9-25-21(20-23-4-2-5-24-20)26-17(16)3-6-29(13)19-8-15(7-18(22)27-19)28-10-14(11-28)12-30/h2,4-5,7-9,13-14,30H,3,6,10-12H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 407.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 139367488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).