3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C22H32N4O3 — CID 74371730

IUPAC3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCN(Cc1c(C(C)(C)C)nc2cc(C=CC(=O)NO)ccn12)CC1CCOC1
InChIInChI=1S/C22H32N4O3/c1-5-25(13-17-9-11-29-15-17)14-18-21(22(2,3)4)23-19-12-16(8-10-26(18)19)6-7-20(27)24-28/h6-8,10,12,17,28H,5,9,11,13-15H2,1-4H3,(H,24,27)
InChIKeySOZUZPITYVRXEX-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.01
Rot. Bonds7

About 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 74371730) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID74371730
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCN(Cc1c(C(C)(C)C)nc2cc(C=CC(=O)NO)ccn12)CC1CCOC1
InChIInChI=1S/C22H32N4O3/c1-5-25(13-17-9-11-29-15-17)14-18-21(22(2,3)4)23-19-12-16(8-10-26(18)19)6-7-20(27)24-28/h6-8,10,12,17,28H,5,9,11,13-15H2,1-4H3,(H,24,27)
InChIKeySOZUZPITYVRXEX-UHFFFAOYSA-N
XLogP3.01
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 74371730) is 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCN(Cc1c(C(C)(C)C)nc2cc(C=CC(=O)NO)ccn12)CC1CCOC1.
What is the InChIKey of 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is SOZUZPITYVRXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-5-25(13-17-9-11-29-15-17)14-18-21(22(2,3)4)23-19-12-16(8-10-26(18)19)6-7-20(27)24-28/h6-8,10,12,17,28H,5,9,11,13-15H2,1-4H3,(H,24,27).
What are the key properties of 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 400.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-tert-butyl-3-[[ethyl(oxolan-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 74371730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).