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'}

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Related Compounds

(3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42196033
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728851
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 64540778
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756
(3S)-N-[(4-ethoxy-3-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124888646
1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
CID 154807954
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 45191874
(3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42381958
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920

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).