2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile

C24H25F2N9 — CID 59646877

IUPAC2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile
SMILESCCCc1c(Cc2ccnn2-c2ncccc2C#N)ncn2nc(CN3CCC(F)(F)CC3)nc12
InChIInChI=1S/C24H25F2N9/c1-2-4-19-20(13-18-6-10-30-35(18)22-17(14-27)5-3-9-28-22)29-16-34-23(19)31-21(32-34)15-33-11-7-24(25,26)8-12-33/h3,5-6,9-10,16H,2,4,7-8,11-13,15H2,1H3
InChIKeyKECCVRYYTZPWJP-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.35
Rot. Bonds7

About 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile

2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile (PubChem CID 59646877) has the molecular formula C24H25F2N9 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile
PubChem CID59646877
Molecular FormulaC24H25F2N9
Molecular Weight477.52 g/mol
Exact Mass477.22
IUPAC Name2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile
SMILESCCCc1c(Cc2ccnn2-c2ncccc2C#N)ncn2nc(CN3CCC(F)(F)CC3)nc12
InChIInChI=1S/C24H25F2N9/c1-2-4-19-20(13-18-6-10-30-35(18)22-17(14-27)5-3-9-28-22)29-16-34-23(19)31-21(32-34)15-33-11-7-24(25,26)8-12-33/h3,5-6,9-10,16H,2,4,7-8,11-13,15H2,1H3
InChIKeyKECCVRYYTZPWJP-UHFFFAOYSA-N
XLogP3.35
TPSA100.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile (CID 59646877) is 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile is CCCc1c(Cc2ccnn2-c2ncccc2C#N)ncn2nc(CN3CCC(F)(F)CC3)nc12.
What is the InChIKey of 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is KECCVRYYTZPWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N9/c1-2-4-19-20(13-18-6-10-30-35(18)22-17(14-27)5-3-9-28-22)29-16-34-23(19)31-21(32-34)15-33-11-7-24(25,26)8-12-33/h3,5-6,9-10,16H,2,4,7-8,11-13,15H2,1H3.
What are the key properties of 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile?
2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 477.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-[(4,4-difluoropiperidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 59646877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).