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

C23H23F2N9 — CID 59646886

IUPAC2-[5-[[2-[(3,3-difluoropyrrolidin-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)C3)nc12
InChIInChI=1S/C23H23F2N9/c1-2-4-18-19(11-17-6-9-29-34(17)21-16(12-26)5-3-8-27-21)28-15-33-22(18)30-20(31-33)13-32-10-7-23(24,25)14-32/h3,5-6,8-9,15H,2,4,7,10-11,13-14H2,1H3
InChIKeyAJLNHOJLSRLUNI-UHFFFAOYSA-N
MW463.50 g/mol
LogP2.96
Rot. Bonds7

About 2-[5-[[2-[(3,3-difluoropyrrolidin-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-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile (PubChem CID 59646886) has the molecular formula C23H23F2N9 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2-[5-[[2-[(3,3-difluoropyrrolidin-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-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile
PubChem CID59646886
Molecular FormulaC23H23F2N9
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC Name2-[5-[[2-[(3,3-difluoropyrrolidin-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)C3)nc12
InChIInChI=1S/C23H23F2N9/c1-2-4-18-19(11-17-6-9-29-34(17)21-16(12-26)5-3-8-27-21)28-15-33-22(18)30-20(31-33)13-32-10-7-23(24,25)14-32/h3,5-6,8-9,15H,2,4,7,10-11,13-14H2,1H3
InChIKeyAJLNHOJLSRLUNI-UHFFFAOYSA-N
XLogP2.96
TPSA100.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[5-[[2-[(3,3-difluoropyrrolidin-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-[(3,3-difluoropyrrolidin-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-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]methyl]pyrazol-1-yl]pyridine-3-carbonitrile (CID 59646886) is 2-[5-[[2-[(3,3-difluoropyrrolidin-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-[(3,3-difluoropyrrolidin-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-[(3,3-difluoropyrrolidin-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)C3)nc12.
What is the InChIKey of 2-[5-[[2-[(3,3-difluoropyrrolidin-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 AJLNHOJLSRLUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N9/c1-2-4-18-19(11-17-6-9-29-34(17)21-16(12-26)5-3-8-27-21)28-15-33-22(18)30-20(31-33)13-32-10-7-23(24,25)14-32/h3,5-6,8-9,15H,2,4,7,10-11,13-14H2,1H3.
What are the key properties of 2-[5-[[2-[(3,3-difluoropyrrolidin-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-[(3,3-difluoropyrrolidin-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 463.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-[(3,3-difluoropyrrolidin-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 59646886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).