3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole

C20H22FN7OS — CID 175702696

IUPAC3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole
SMILESCOC1CCN(c2cc(F)nc(N3CCc4nc(-c5cnsn5)ncc4C3C)c2)C1
InChIInChI=1S/C20H22FN7OS/c1-12-15-9-22-20(17-10-23-30-26-17)24-16(15)4-6-28(12)19-8-13(7-18(21)25-19)27-5-3-14(11-27)29-2/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyYAXKQGQDXRXKCV-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.88
Rot. Bonds4

About 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole

3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole (PubChem CID 175702696) has the molecular formula C20H22FN7OS and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole
PubChem CID175702696
Molecular FormulaC20H22FN7OS
Molecular Weight427.51 g/mol
Exact Mass427.16
IUPAC Name3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole
SMILESCOC1CCN(c2cc(F)nc(N3CCc4nc(-c5cnsn5)ncc4C3C)c2)C1
InChIInChI=1S/C20H22FN7OS/c1-12-15-9-22-20(17-10-23-30-26-17)24-16(15)4-6-28(12)19-8-13(7-18(21)25-19)27-5-3-14(11-27)29-2/h7-10,12,14H,3-6,11H2,1-2H3
InChIKeyYAXKQGQDXRXKCV-UHFFFAOYSA-N
XLogP2.88
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole with MolForge

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Related Compounds

[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
6-[2-(3-methoxypyrrolidin-1-yl)-6-methyl-4-pyridinyl]-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 145427356
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-[6-(4,6-difluoro-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
CID 139461644
(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]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
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
2-fluoro-N,N-dimethyl-6-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pyridin-4-amine
CID 139461623
6-(2,6-difluoro-4-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 139381324
4-[2-fluoro-6-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-4-pyridinyl]morpholine
CID 139368515
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole?
The IUPAC name of 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole (CID 175702696) is 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole is COC1CCN(c2cc(F)nc(N3CCc4nc(-c5cnsn5)ncc4C3C)c2)C1.
What is the InChIKey of 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole?
The InChIKey is YAXKQGQDXRXKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7OS/c1-12-15-9-22-20(17-10-23-30-26-17)24-16(15)4-6-28(12)19-8-13(7-18(21)25-19)27-5-3-14(11-27)29-2/h7-10,12,14H,3-6,11H2,1-2H3.
What are the key properties of 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole?
3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole has a molecular weight of 427.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,2,5-thiadiazole is sourced from PubChem (CID 175702696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).