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

C23H21N9O — CID 69107978

IUPAC6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(C#N)cn2)nc(N2CCCC2c2cc(-c3nccnc3C)no2)n1
InChIInChI=1S/C23H21N9O/c1-14-10-21(29-20-6-5-16(12-24)13-27-20)30-23(28-14)32-9-3-4-18(32)19-11-17(31-33-19)22-15(2)25-7-8-26-22/h5-8,10-11,13,18H,3-4,9H2,1-2H3,(H,27,28,29,30)
InChIKeyWSJUCJNISAZOSD-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.89
Rot. Bonds5

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

6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 69107978) has the molecular formula C23H21N9O and a molecular weight of 439.48 g/mol. Its IUPAC name is 6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID69107978
Molecular FormulaC23H21N9O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC Name6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(C#N)cn2)nc(N2CCCC2c2cc(-c3nccnc3C)no2)n1
InChIInChI=1S/C23H21N9O/c1-14-10-21(29-20-6-5-16(12-24)13-27-20)30-23(28-14)32-9-3-4-18(32)19-11-17(31-33-19)22-15(2)25-7-8-26-22/h5-8,10-11,13,18H,3-4,9H2,1-2H3,(H,27,28,29,30)
InChIKeyWSJUCJNISAZOSD-UHFFFAOYSA-N
XLogP3.89
TPSA129.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile (CID 69107978) is 6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile is Cc1cc(Nc2ccc(C#N)cn2)nc(N2CCCC2c2cc(-c3nccnc3C)no2)n1.
What is the InChIKey of 6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is WSJUCJNISAZOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O/c1-14-10-21(29-20-6-5-16(12-24)13-27-20)30-23(28-14)32-9-3-4-18(32)19-11-17(31-33-19)22-15(2)25-7-8-26-22/h5-8,10-11,13,18H,3-4,9H2,1-2H3,(H,27,28,29,30).
What are the key properties of 6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile?
6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 439.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 69107978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).