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

C21H23FN6OS — CID 139461639

IUPAC4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCO[C@H]1CCN(c2cc(F)cc(N3CCc4nc(-c5cscn5)ncc4C3C)n2)C1
InChIInChI=1S/C21H23FN6OS/c1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)20-8-14(22)7-19(26-20)27-5-3-15(10-27)29-2/h7-9,11-13,15H,3-6,10H2,1-2H3/t13?,15-/m0/s1
InChIKeyAWDXZDPKWARLAB-WUJWULDRSA-N
MW426.52 g/mol
LogP3.48
Rot. Bonds4

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

4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 139461639) has the molecular formula C21H23FN6OS and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID139461639
Molecular FormulaC21H23FN6OS
Molecular Weight426.52 g/mol
Exact Mass426.16
IUPAC Name4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCO[C@H]1CCN(c2cc(F)cc(N3CCc4nc(-c5cscn5)ncc4C3C)n2)C1
InChIInChI=1S/C21H23FN6OS/c1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)20-8-14(22)7-19(26-20)27-5-3-15(10-27)29-2/h7-9,11-13,15H,3-6,10H2,1-2H3/t13?,15-/m0/s1
InChIKeyAWDXZDPKWARLAB-WUJWULDRSA-N
XLogP3.48
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 139461639) is 4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is CO[C@H]1CCN(c2cc(F)cc(N3CCc4nc(-c5cscn5)ncc4C3C)n2)C1.
What is the InChIKey of 4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is AWDXZDPKWARLAB-WUJWULDRSA-N. The full InChI is InChI=1S/C21H23FN6OS/c1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)20-8-14(22)7-19(26-20)27-5-3-15(10-27)29-2/h7-9,11-13,15H,3-6,10H2,1-2H3/t13?,15-/m0/s1.
What are the key properties of 4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 426.52 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-fluoro-6-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 139461639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).