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

C20H19N3O3 — CID 154605156

IUPAC1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC[C@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)C1
InChIInChI=1S/C20H19N3O3/c1-2-20(25)22-8-7-17(12-22)26-19-9-15(11-23-13-21-10-18(19)23)14-3-5-16(24)6-4-14/h2-6,9-11,13,17,24H,1,7-8,12H2/t17-/m0/s1
InChIKeyLSVNNJLDQWDNNY-KRWDZBQOSA-N
MW349.39 g/mol
LogP2.87
Rot. Bonds4

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

1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 154605156) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
PubChem CID154605156
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC[C@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)C1
InChIInChI=1S/C20H19N3O3/c1-2-20(25)22-8-7-17(12-22)26-19-9-15(11-23-13-21-10-18(19)23)14-3-5-16(24)6-4-14/h2-6,9-11,13,17,24H,1,7-8,12H2/t17-/m0/s1
InChIKeyLSVNNJLDQWDNNY-KRWDZBQOSA-N
XLogP2.87
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one (CID 154605156) is 1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-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]oxypyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC[C@H](Oc2cc(-c3ccc(O)cc3)cn3cncc23)C1.
What is the InChIKey of 1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is LSVNNJLDQWDNNY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-20(25)22-8-7-17(12-22)26-19-9-15(11-23-13-21-10-18(19)23)14-3-5-16(24)6-4-14/h2-6,9-11,13,17,24H,1,7-8,12H2/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one?
1-[(3S)-3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxypyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 349.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 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]oxypyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 154605156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).