1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one

C21H22N4O2 — CID 154605100

IUPAC1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@H](Nc2cc(-c3ccc(O)cc3)cn3cncc23)C1
InChIInChI=1S/C21H22N4O2/c1-2-21(27)24-9-3-4-17(13-24)23-19-10-16(12-25-14-22-11-20(19)25)15-5-7-18(26)8-6-15/h2,5-8,10-12,14,17,23,26H,1,3-4,9,13H2/t17-/m0/s1
InChIKeyIIVVJXYDOVIOHM-KRWDZBQOSA-N
MW362.43 g/mol
LogP3.30
Rot. Bonds4

About 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one

1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one (PubChem CID 154605100) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one
PubChem CID154605100
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@H](Nc2cc(-c3ccc(O)cc3)cn3cncc23)C1
InChIInChI=1S/C21H22N4O2/c1-2-21(27)24-9-3-4-17(13-24)23-19-10-16(12-25-14-22-11-20(19)25)15-5-7-18(26)8-6-15/h2,5-8,10-12,14,17,23,26H,1,3-4,9,13H2/t17-/m0/s1
InChIKeyIIVVJXYDOVIOHM-KRWDZBQOSA-N
XLogP3.30
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
N-[5-(4-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848646
1-[3-(4-hydroxyphenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660412
N-[(3R)-6-(4-Hydroxyphenyl)-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 23656587
N-[5-(3-hydroxyphenyl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 44455153
4-[[6-(3-Hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-2-one
CID 57391331
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-[6-(2-hydroxy-phenyl)-pyridin-3-ylmethyl]-9H-purine-2,6-diamine
CID 136219283
4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-propan-2-ylpyrido[2,3-d]pyrimidin-2-one
CID 164054598
4-[3-(3-Methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenol
CID 7338267
4-[3-(Cyclohexylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
CID 25148037
1-[4-[2-[(4-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one
CID 45252427

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one (CID 154605100) is 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@H](Nc2cc(-c3ccc(O)cc3)cn3cncc23)C1.
What is the InChIKey of 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is IIVVJXYDOVIOHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-21(27)24-9-3-4-17(13-24)23-19-10-16(12-25-14-22-11-20(19)25)15-5-7-18(26)8-6-15/h2,5-8,10-12,14,17,23,26H,1,3-4,9,13H2/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 362.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 154605100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).