6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile

C19H17F3N6 — CID 154696651

IUPAC6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c(N3CCC(F)(F)[C@H](N)C3)nc3cc(F)ccc32)nc1
InChIInChI=1S/C19H17F3N6/c20-13-2-4-16-15(7-13)26-18(27-6-5-19(21,22)17(24)11-27)28(16)10-14-3-1-12(8-23)9-25-14/h1-4,7,9,17H,5-6,10-11,24H2/t17-/m1/s1
InChIKeyNVWRZPXJWKERDH-QGZVFWFLSA-N
MW386.38 g/mol
LogP2.66
Rot. Bonds3

About 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile

6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 154696651) has the molecular formula C19H17F3N6 and a molecular weight of 386.38 g/mol. Its IUPAC name is 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID154696651
Molecular FormulaC19H17F3N6
Molecular Weight386.38 g/mol
Exact Mass386.15
IUPAC Name6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c(N3CCC(F)(F)[C@H](N)C3)nc3cc(F)ccc32)nc1
InChIInChI=1S/C19H17F3N6/c20-13-2-4-16-15(7-13)26-18(27-6-5-19(21,22)17(24)11-27)28(16)10-14-3-1-12(8-23)9-25-14/h1-4,7,9,17H,5-6,10-11,24H2/t17-/m1/s1
InChIKeyNVWRZPXJWKERDH-QGZVFWFLSA-N
XLogP2.66
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile (CID 154696651) is 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cn2c(N3CCC(F)(F)[C@H](N)C3)nc3cc(F)ccc32)nc1.
What is the InChIKey of 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is NVWRZPXJWKERDH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17F3N6/c20-13-2-4-16-15(7-13)26-18(27-6-5-19(21,22)17(24)11-27)28(16)10-14-3-1-12(8-23)9-25-14/h1-4,7,9,17H,5-6,10-11,24H2/t17-/m1/s1.
What are the key properties of 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 386.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-5-fluorobenzimidazol-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 154696651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).