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

C21H22N4O2 — CID 154605107

IUPAC1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Nc2cc(-c3ccc(O)cc3)cn3cncc23)CC1
InChIInChI=1S/C21H22N4O2/c1-2-21(27)24-9-7-17(8-10-24)23-19-11-16(13-25-14-22-12-20(19)25)15-3-5-18(26)6-4-15/h2-6,11-14,17,23,26H,1,7-10H2
InChIKeyKCCPAWZMSLJWKF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.30
Rot. Bonds4

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

1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one (PubChem CID 154605107) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one
PubChem CID154605107
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Nc2cc(-c3ccc(O)cc3)cn3cncc23)CC1
InChIInChI=1S/C21H22N4O2/c1-2-21(27)24-9-7-17(8-10-24)23-19-11-16(13-25-14-22-12-20(19)25)15-3-5-18(26)6-4-15/h2-6,11-14,17,23,26H,1,7-10H2
InChIKeyKCCPAWZMSLJWKF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one (CID 154605107) is 1-[4-[[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-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Nc2cc(-c3ccc(O)cc3)cn3cncc23)CC1.
What is the InChIKey of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is KCCPAWZMSLJWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-21(27)24-9-7-17(8-10-24)23-19-11-16(13-25-14-22-12-20(19)25)15-3-5-18(26)6-4-15/h2-6,11-14,17,23,26H,1,7-10H2.
What are the key properties of 1-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one?
1-[4-[[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-[4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]amino]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 154605107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).