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

C20H21FN6S — CID 139461585

IUPAC4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)cc(N2CCCC2)n1
InChIInChI=1S/C20H21FN6S/c1-13-15-10-22-20(17-11-28-12-23-17)24-16(15)4-7-27(13)19-9-14(21)8-18(25-19)26-5-2-3-6-26/h8-13H,2-7H2,1H3
InChIKeyPIGDAVMORAGPLW-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.86
Rot. Bonds3

About 4-[6-(4-fluoro-6-pyrrolidin-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-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 139461585) has the molecular formula C20H21FN6S and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-[6-(4-fluoro-6-pyrrolidin-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-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID139461585
Molecular FormulaC20H21FN6S
Molecular Weight396.50 g/mol
Exact Mass396.15
IUPAC Name4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)cc(N2CCCC2)n1
InChIInChI=1S/C20H21FN6S/c1-13-15-10-22-20(17-11-28-12-23-17)24-16(15)4-7-27(13)19-9-14(21)8-18(25-19)26-5-2-3-6-26/h8-13H,2-7H2,1H3
InChIKeyPIGDAVMORAGPLW-UHFFFAOYSA-N
XLogP3.86
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-(4-fluoro-6-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 139461585) is 4-[6-(4-fluoro-6-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)cc(N2CCCC2)n1.
What is the InChIKey of 4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is PIGDAVMORAGPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6S/c1-13-15-10-22-20(17-11-28-12-23-17)24-16(15)4-7-27(13)19-9-14(21)8-18(25-19)26-5-2-3-6-26/h8-13H,2-7H2,1H3.
What are the key properties of 4-[6-(4-fluoro-6-pyrrolidin-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-pyrrolidin-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 396.50 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluoro-6-pyrrolidin-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 139461585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).