[6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid

C20H17FN4O2 — CID 68533390

IUPAC[6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2cccc(F)n2)CCC(NC(=O)O)C1
InChIInChI=1S/C20H17FN4O2/c21-19-3-1-2-14(23-19)11-25-17-6-4-12(10-22)8-15(17)16-9-13(24-20(26)27)5-7-18(16)25/h1-4,6,8,13,24H,5,7,9,11H2,(H,26,27)
InChIKeyIVSVQSUIRVYRBM-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.22
Rot. Bonds3

About [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid

[6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid (PubChem CID 68533390) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid
PubChem CID68533390
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name[6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid
SMILESN#Cc1ccc2c(c1)c1c(n2Cc2cccc(F)n2)CCC(NC(=O)O)C1
InChIInChI=1S/C20H17FN4O2/c21-19-3-1-2-14(23-19)11-25-17-6-4-12(10-22)8-15(17)16-9-13(24-20(26)27)5-7-18(16)25/h1-4,6,8,13,24H,5,7,9,11H2,(H,26,27)
InChIKeyIVSVQSUIRVYRBM-UHFFFAOYSA-N
XLogP3.22
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid?
The IUPAC name of [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid (CID 68533390) is [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid.
What is the SMILES notation for [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid?
The canonical SMILES for [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid is N#Cc1ccc2c(c1)c1c(n2Cc2cccc(F)n2)CCC(NC(=O)O)C1.
What is the InChIKey of [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid?
The InChIKey is IVSVQSUIRVYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-19-3-1-2-14(23-19)11-25-17-6-4-12(10-22)8-15(17)16-9-13(24-20(26)27)5-7-18(16)25/h1-4,6,8,13,24H,5,7,9,11H2,(H,26,27).
What are the key properties of [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid?
[6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid has a molecular weight of 364.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyano-9-[(6-fluoro-2-pyridinyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamic acid is sourced from PubChem (CID 68533390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).