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

C20H20FN5OS — CID 139461620

IUPAC4-[6-[4-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(OCC2CC2)cc(F)n1
InChIInChI=1S/C20H20FN5OS/c1-12-15-8-22-20(17-10-28-11-23-17)24-16(15)4-5-26(12)19-7-14(6-18(21)25-19)27-9-13-2-3-13/h6-8,10-13H,2-5,9H2,1H3
InChIKeyXBLSHAIDEQDPHG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.05
Rot. Bonds5

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

4-[6-[4-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 139461620) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[6-[4-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[4-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID139461620
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC Name4-[6-[4-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(OCC2CC2)cc(F)n1
InChIInChI=1S/C20H20FN5OS/c1-12-15-8-22-20(17-10-28-11-23-17)24-16(15)4-5-26(12)19-7-14(6-18(21)25-19)27-9-13-2-3-13/h6-8,10-13H,2-5,9H2,1H3
InChIKeyXBLSHAIDEQDPHG-UHFFFAOYSA-N
XLogP4.05
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(cyclopropylmethoxy)-6-fluoro-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-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 139461620) is 4-[6-[4-(cyclopropylmethoxy)-6-fluoro-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-(cyclopropylmethoxy)-6-fluoro-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-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(OCC2CC2)cc(F)n1.
What is the InChIKey of 4-[6-[4-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is XBLSHAIDEQDPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c1-12-15-8-22-20(17-10-28-11-23-17)24-16(15)4-5-26(12)19-7-14(6-18(21)25-19)27-9-13-2-3-13/h6-8,10-13H,2-5,9H2,1H3.
What are the key properties of 4-[6-[4-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-[4-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 397.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(cyclopropylmethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 139461620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).