(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

C21H25FN4O — CID 97196379

IUPAC(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3n2C)C1
InChIInChI=1S/C21H25FN4O/c1-14(2)26-10-8-23-20(26)15-5-4-9-25(13-15)21(27)19-12-16-11-17(22)6-7-18(16)24(19)3/h6-8,10-12,14-15H,4-5,9,13H2,1-3H3/t15-/m1/s1
InChIKeyJNUXSKKZVNLJLR-OAHLLOKOSA-N
MW368.46 g/mol
LogP4.11
Rot. Bonds3

About (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97196379) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID97196379
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3n2C)C1
InChIInChI=1S/C21H25FN4O/c1-14(2)26-10-8-23-20(26)15-5-4-9-25(13-15)21(27)19-12-16-11-17(22)6-7-18(16)24(19)3/h6-8,10-12,14-15H,4-5,9,13H2,1-3H3/t15-/m1/s1
InChIKeyJNUXSKKZVNLJLR-OAHLLOKOSA-N
XLogP4.11
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-fluoro-3-methylphenyl)-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 72881750
(5-fluoro-1-methylindol-2-yl)-[3-[(3R)-1-methylpiperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 92625186
(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97199326
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 72915978
(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone
CID 95813951
5-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 97281034
(2-hydroxy-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97272457
6-ethyl-1,5-dimethyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 77096988
(2-chloro-3-methylphenyl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97198650
5-acetyl-6-methyl-3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72897928
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97187963

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (CID 97196379) is (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3n2C)C1.
What is the InChIKey of (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is JNUXSKKZVNLJLR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-14(2)26-10-8-23-20(26)15-5-4-9-25(13-15)21(27)19-12-16-11-17(22)6-7-18(16)24(19)3/h6-8,10-12,14-15H,4-5,9,13H2,1-3H3/t15-/m1/s1.
What are the key properties of (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97196379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).