1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one

C23H25FN6O2S — CID 139461661

IUPAC1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one
SMILESC[C@H]1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(OCCCN2CCCC2=O)c1
InChIInChI=1S/C23H25FN6O2S/c1-15-17-12-25-23(19-13-33-14-26-19)27-18(17)5-8-30(15)16-10-20(24)28-21(11-16)32-9-3-7-29-6-2-4-22(29)31/h10-15H,2-9H2,1H3/t15-/m0/s1
InChIKeyDVRFBVXUPURUDB-HNNXBMFYSA-N
MW468.56 g/mol
LogP3.65
Rot. Bonds7

About 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one

1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one (PubChem CID 139461661) has the molecular formula C23H25FN6O2S and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one
PubChem CID139461661
Molecular FormulaC23H25FN6O2S
Molecular Weight468.56 g/mol
Exact Mass468.17
IUPAC Name1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one
SMILESC[C@H]1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(OCCCN2CCCC2=O)c1
InChIInChI=1S/C23H25FN6O2S/c1-15-17-12-25-23(19-13-33-14-26-19)27-18(17)5-8-30(15)16-10-20(24)28-21(11-16)32-9-3-7-29-6-2-4-22(29)31/h10-15H,2-9H2,1H3/t15-/m0/s1
InChIKeyDVRFBVXUPURUDB-HNNXBMFYSA-N
XLogP3.65
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.65
H-Bond Donors ≤ 50
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 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one (CID 139461661) is 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one is C[C@H]1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(OCCCN2CCCC2=O)c1.
What is the InChIKey of 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one?
The InChIKey is DVRFBVXUPURUDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25FN6O2S/c1-15-17-12-25-23(19-13-33-14-26-19)27-18(17)5-8-30(15)16-10-20(24)28-21(11-16)32-9-3-7-29-6-2-4-22(29)31/h10-15H,2-9H2,1H3/t15-/m0/s1.
What are the key properties of 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one?
1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one has a molecular weight of 468.56 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-fluoro-4-[(5S)-5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]pyrrolidin-2-one is sourced from PubChem (CID 139461661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).