3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile

C22H20N8OS — CID 73231021

IUPAC3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile
SMILESCc1cc(Nc2ncc(C)s2)nc(N2CCCC2c2cc(-c3cccnc3C#N)no2)n1
InChIInChI=1S/C22H20N8OS/c1-13-9-20(28-22-25-12-14(2)32-22)27-21(26-13)30-8-4-6-18(30)19-10-16(29-31-19)15-5-3-7-24-17(15)11-23/h3,5,7,9-10,12,18H,4,6,8H2,1-2H3,(H,25,26,27,28)
InChIKeyRWEYDSKZUDNKKJ-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.56
Rot. Bonds5

About 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile

3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile (PubChem CID 73231021) has the molecular formula C22H20N8OS and a molecular weight of 444.52 g/mol. Its IUPAC name is 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile
PubChem CID73231021
Molecular FormulaC22H20N8OS
Molecular Weight444.52 g/mol
Exact Mass444.15
IUPAC Name3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile
SMILESCc1cc(Nc2ncc(C)s2)nc(N2CCCC2c2cc(-c3cccnc3C#N)no2)n1
InChIInChI=1S/C22H20N8OS/c1-13-9-20(28-22-25-12-14(2)32-22)27-21(26-13)30-8-4-6-18(30)19-10-16(29-31-19)15-5-3-7-24-17(15)11-23/h3,5,7,9-10,12,18H,4,6,8H2,1-2H3,(H,25,26,27,28)
InChIKeyRWEYDSKZUDNKKJ-UHFFFAOYSA-N
XLogP4.56
TPSA116.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile (CID 73231021) is 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile is Cc1cc(Nc2ncc(C)s2)nc(N2CCCC2c2cc(-c3cccnc3C#N)no2)n1.
What is the InChIKey of 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile?
The InChIKey is RWEYDSKZUDNKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8OS/c1-13-9-20(28-22-25-12-14(2)32-22)27-21(26-13)30-8-4-6-18(30)19-10-16(29-31-19)15-5-3-7-24-17(15)11-23/h3,5,7,9-10,12,18H,4,6,8H2,1-2H3,(H,25,26,27,28).
What are the key properties of 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile?
3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile has a molecular weight of 444.52 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-[4-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-2-yl]-1,2-oxazol-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 73231021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).