3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

C26H24F2N4O2 — CID 144552573

IUPAC3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
SMILESCCC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2C[C@H]2c3cc(F)cc(F)c3C[C@H]2O)C1
InChIInChI=1S/C26H24F2N4O2/c1-2-25(34)31-7-6-23-21(13-31)26(16-5-3-4-15(8-16)12-29)30-32(23)14-20-18-9-17(27)10-22(28)19(18)11-24(20)33/h3-5,8-10,20,24,33H,2,6-7,11,13-14H2,1H3/t20-,24+/m0/s1
InChIKeyOUZKZLBQRWGZLP-GBXCKJPGSA-N
MW462.50 g/mol
LogP3.70
Rot. Bonds4

About 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (PubChem CID 144552573) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
PubChem CID144552573
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
SMILESCCC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2C[C@H]2c3cc(F)cc(F)c3C[C@H]2O)C1
InChIInChI=1S/C26H24F2N4O2/c1-2-25(34)31-7-6-23-21(13-31)26(16-5-3-4-15(8-16)12-29)30-32(23)14-20-18-9-17(27)10-22(28)19(18)11-24(20)33/h3-5,8-10,20,24,33H,2,6-7,11,13-14H2,1H3/t20-,24+/m0/s1
InChIKeyOUZKZLBQRWGZLP-GBXCKJPGSA-N
XLogP3.70
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The IUPAC name of 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (CID 144552573) is 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The canonical SMILES for 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is CCC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2C[C@H]2c3cc(F)cc(F)c3C[C@H]2O)C1.
What is the InChIKey of 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The InChIKey is OUZKZLBQRWGZLP-GBXCKJPGSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-2-25(34)31-7-6-23-21(13-31)26(16-5-3-4-15(8-16)12-29)30-32(23)14-20-18-9-17(27)10-22(28)19(18)11-24(20)33/h3-5,8-10,20,24,33H,2,6-7,11,13-14H2,1H3/t20-,24+/m0/s1.
What are the key properties of 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile has a molecular weight of 462.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[(1R,2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 144552573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).