N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C19H22FN5 — CID 45230292

IUPACN-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCc1c(CNC2CCCN(c3ncccn3)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H22FN5/c1-13-16-10-14(20)5-6-17(16)24-18(13)11-23-15-4-2-9-25(12-15)19-21-7-3-8-22-19/h3,5-8,10,15,23-24H,2,4,9,11-12H2,1H3
InChIKeyNQJICUNREGEXIH-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.16
Rot. Bonds4

About N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 45230292) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID45230292
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC NameN-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCc1c(CNC2CCCN(c3ncccn3)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C19H22FN5/c1-13-16-10-14(20)5-6-17(16)24-18(13)11-23-15-4-2-9-25(12-15)19-21-7-3-8-22-19/h3,5-8,10,15,23-24H,2,4,9,11-12H2,1H3
InChIKeyNQJICUNREGEXIH-UHFFFAOYSA-N
XLogP3.16
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 45230292) is N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is Cc1c(CNC2CCCN(c3ncccn3)C2)[nH]c2ccc(F)cc12.
What is the InChIKey of N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is NQJICUNREGEXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-13-16-10-14(20)5-6-17(16)24-18(13)11-23-15-4-2-9-25(12-15)19-21-7-3-8-22-19/h3,5-8,10,15,23-24H,2,4,9,11-12H2,1H3.
What are the key properties of N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 339.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 45230292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).