[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone

C21H23FN4O2 — CID 156532901

IUPAC[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone
SMILESNCc1ccccc1CC1CCN(C(=O)c2cn3cccc(F)c3n2)C[C@H]1O
InChIInChI=1S/C21H23FN4O2/c22-17-6-3-8-25-12-18(24-20(17)25)21(28)26-9-7-15(19(27)13-26)10-14-4-1-2-5-16(14)11-23/h1-6,8,12,15,19,27H,7,9-11,13,23H2/t15?,19-/m1/s1
InChIKeyMTNXXJQSKGGPAX-XCWJXAQQSA-N
MW382.44 g/mol
LogP2.00
Rot. Bonds4

About [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone

[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 156532901) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID156532901
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone
SMILESNCc1ccccc1CC1CCN(C(=O)c2cn3cccc(F)c3n2)C[C@H]1O
InChIInChI=1S/C21H23FN4O2/c22-17-6-3-8-25-12-18(24-20(17)25)21(28)26-9-7-15(19(27)13-26)10-14-4-1-2-5-16(14)11-23/h1-6,8,12,15,19,27H,7,9-11,13,23H2/t15?,19-/m1/s1
InChIKeyMTNXXJQSKGGPAX-XCWJXAQQSA-N
XLogP2.00
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(7-chloro-8-iodoimidazo[1,2-a]pyridin-2-yl)methanone
CID 156532996
[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(6-iodo-2-methoxy-3-pyridinyl)methanone
CID 156532995
8-fluoroimidazo[1,2-a]pyridine-2-carbohydrazide
CID 82529126
2-[4-[[2-(aminomethyl)phenyl]methyl]-3-oxopiperidine-1-carbonyl]-8-chloroimidazo[1,2-a]pyridine-6-carbonitrile
CID 156793370
[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 167786897
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 125007104
tert-butyl 3-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 104928512
(3R)-N-cyclopentyl-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92635367
8-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine
CID 105492803
(2-ethoxy-6-methyl-3-pyridinyl)-[3-hydroxy-4-[[2-(methylaminomethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 156793422
(4-chlorophenyl)-[(3S)-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]methanone
CID 42098520
1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166749

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone (CID 156532901) is [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone is NCc1ccccc1CC1CCN(C(=O)c2cn3cccc(F)c3n2)C[C@H]1O.
What is the InChIKey of [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is MTNXXJQSKGGPAX-XCWJXAQQSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-17-6-3-8-25-12-18(24-20(17)25)21(28)26-9-7-15(19(27)13-26)10-14-4-1-2-5-16(14)11-23/h1-6,8,12,15,19,27H,7,9-11,13,23H2/t15?,19-/m1/s1.
What are the key properties of [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone?
[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 382.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-(8-fluoroimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 156532901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).