5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile

C25H32N8 — CID 132767161

IUPAC5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc(Nc2ccc(C#N)nc2)cc(C2CCCCN2Cc2c(C)nn(C(C)C)c2C)n1
InChIInChI=1S/C25H32N8/c1-16(2)33-18(4)22(17(3)31-33)15-32-11-7-6-8-24(32)23-12-25(29-19(5)28-23)30-21-10-9-20(13-26)27-14-21/h9-10,12,14,16,24H,6-8,11,15H2,1-5H3,(H,28,29,30)
InChIKeyYVDWFSPCSQLGBR-UHFFFAOYSA-N
MW444.59 g/mol
LogP4.92
Rot. Bonds6

About 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile

5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile (PubChem CID 132767161) has the molecular formula C25H32N8 and a molecular weight of 444.59 g/mol. Its IUPAC name is 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
PubChem CID132767161
Molecular FormulaC25H32N8
Molecular Weight444.59 g/mol
Exact Mass444.27
IUPAC Name5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc(Nc2ccc(C#N)nc2)cc(C2CCCCN2Cc2c(C)nn(C(C)C)c2C)n1
InChIInChI=1S/C25H32N8/c1-16(2)33-18(4)22(17(3)31-33)15-32-11-7-6-8-24(32)23-12-25(29-19(5)28-23)30-21-10-9-20(13-26)27-14-21/h9-10,12,14,16,24H,6-8,11,15H2,1-5H3,(H,28,29,30)
InChIKeyYVDWFSPCSQLGBR-UHFFFAOYSA-N
XLogP4.92
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile (CID 132767161) is 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile is Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCCCN2Cc2c(C)nn(C(C)C)c2C)n1.
What is the InChIKey of 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The InChIKey is YVDWFSPCSQLGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8/c1-16(2)33-18(4)22(17(3)31-33)15-32-11-7-6-8-24(32)23-12-25(29-19(5)28-23)30-21-10-9-20(13-26)27-14-21/h9-10,12,14,16,24H,6-8,11,15H2,1-5H3,(H,28,29,30).
What are the key properties of 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile has a molecular weight of 444.59 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 132767161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).