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

C20H21FN6OS — CID 139461653

IUPAC4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(N2CCOCC2)c1
InChIInChI=1S/C20H21FN6OS/c1-13-15-10-22-20(17-11-29-12-23-17)24-16(15)2-3-27(13)14-8-18(21)25-19(9-14)26-4-6-28-7-5-26/h8-13H,2-7H2,1H3
InChIKeySXDQWKCUFBKHQH-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.09
Rot. Bonds3

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

4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (PubChem CID 139461653) has the molecular formula C20H21FN6OS and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
PubChem CID139461653
Molecular FormulaC20H21FN6OS
Molecular Weight412.49 g/mol
Exact Mass412.15
IUPAC Name4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(N2CCOCC2)c1
InChIInChI=1S/C20H21FN6OS/c1-13-15-10-22-20(17-11-29-12-23-17)24-16(15)2-3-27(13)14-8-18(21)25-19(9-14)26-4-6-28-7-5-26/h8-13H,2-7H2,1H3
InChIKeySXDQWKCUFBKHQH-UHFFFAOYSA-N
XLogP3.09
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (CID 139461653) is 4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(N2CCOCC2)c1.
What is the InChIKey of 4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
The InChIKey is SXDQWKCUFBKHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6OS/c1-13-15-10-22-20(17-11-29-12-23-17)24-16(15)2-3-27(13)14-8-18(21)25-19(9-14)26-4-6-28-7-5-26/h8-13H,2-7H2,1H3.
What are the key properties of 4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?
4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine has a molecular weight of 412.49 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-4-[5-methyl-2-(1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 139461653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).